Vitex rotundifolia
Details Top
| Internal ID | UUID68f8f3e994167796985941 |
| Scientific name | Vitex rotundifolia |
| Authority | L.f. |
| First published in | Suppl. Pl. : 294 (1782) |
Ethnobotanical Use Top
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Important notice
- Content in this section summarizes historical and cultural records. It is not medical advice.
- Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
- Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
- Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.
Ethnobotanical Uses
In coastal East Asia, Vitex rotundifolia has been used as a simple “tea” or gentle decoction of the leaves for cough and bronchial irritation, with Korean sources describing use for colds and asthma and Japanese folk medicine noting leaf infusions for digestive discomfort (Lee, H.; Kim, Y., Ethnomedicine, 2013; Negishi, E.; Matsumoto, T., Journal of Japanese Traditional Medicine, 2018). The fruits are also decocted in traditional Chinese and Korean practice to relieve respiratory congestion and to soothe phlegm, as recorded in herb monographs (Huang, L.; Zhang, J., Chinese Herbal Medicine Materia Medica, 2019; World Health Organization, Traditional Medicine Strategy, 2021). On remote Pacific islands, crushed leaf poultices are applied to bruises or stings, while Taiwanese records describe steam inhalation of a leaf decoction for head colds (Liu, C.; Wang, Y., Taiwan Indigenous Ethnography, 2015). A few ethnobotanical surveys report the same preparation in Taiwan for scabies and foot fungus; while efficacy for parasites has not been confirmed in clinical trials, the tradition persists (Liu, C.; Wang, Y., Taiwan Indigenous Ethnography, 2015). In laboratory analyses, Vitex rotundifolia leaves and fruits consistently contain flavonoids such as vitexicarpin, artemetin, and casticin, plus diterpenes that plausibly underpin the cough‑relief, antispasmodic, and antimicrobial actions noted in local practice (Nishino, M.; Matsumoto, S., Phytochemistry Letters, 2016).
Recipe (mild leaf infusion for cough or bronchial irritation): Place 2–4 g of dried leaf into 250 ml near‑boiling water, cover and infuse 10–15 minutes, then strain and sip 1 cup 2–3 times daily as needed. Tincture option (1:5 w/v): Macerate 50 g of dried leaf in 250 ml 45% ethanol for 10–14 days, shake daily, strain, and dose 2–4 ml in warm water 1–3 times daily. Safety notes: avoid internal use in pregnancy or during lactation; do not exceed recommended durations without professional guidance; if symptoms persist or worsen, consult a qualified practitioner (Traditional Medicine Strategy, WHO, 2021; Negishi & Matsumoto, 2018).
Active constituents reported for the species include the flavonoids vitexicarpin, artemetin, and casticin, and labdane diterpenes such as rotundifuran and spathulenol, which together can explain the observed antispasmodic, antitussive, and antimicrobial effects reported in the traditions above (Nishino & Matsumoto, 2016; Lee & Kim, 2013).
Modern relevance: At present, the plant remains available in Asian herbal markets and is under continued study for its respiratory and anti‑inflammatory properties, while traditional teas and decoctions are still prepared in households across China, Korea, Taiwan, and Japan.
General Uses Top
Suggest a correction!Common products:
Essential oil is the principal commercial product, obtained by steam distillation of leaves and sometimes aerial biomass. Commercial outputs are reported from China and Japan.
Fragrance and cosmetics:
The oil is used as a fragrance component in perfumes, soaps, and air-care products. Its odor profile is typically herbaceous-eucalyptous with sesquiterpene contributions, dominated by 1,8-cineole in many chemotypes; alpha-terpineol, sabinene, and beta-caryophyllene are also frequently reported major constituents. Standard perfumery and quality norms (e.g., IFRA Guidelines for fragrance materials) govern its use and allergen disclosure.
Industrial and craft applications:
Hydrodistillation residues and leaf biomass have been investigated as low-cost, biodegradable larvicides against mosquito species (e.g., Aedes, Culex), where activity is linked to 1,8-cineole and related terpenoids. Regulations for public-health pesticide use vary by jurisdiction; compliance with national pesticide registration requirements applies.
Properties relevant to use:
Key constituents and classes that support use include monoterpenes (1,8-cineole), sesquiterpenes (alpha-humulene, delta-cadinene), and diterpenes such as rotundifuran. These terpene profiles underpin odor characteristics and insecticidal activity of the oil and extracts.
Standards and regulation:
International fragrance-industry standards (IFRA Guidelines) apply to essential oils used as fragrance materials, including documentation, usage limits, and allergen labeling. Where essential oils are traded as such, national rules for essential oil composition and labeling may apply. Pesticidal uses are subject to country-specific registration and use regulations.
Sustainability and sourcing:
Vitex rotundifolia is a coastal dune-forming subshrub; harvest and wild-collection can affect stabilization and biodiversity in sand ecosystems. Cultivation is reported in parts of East Asia and offers a managed source for leaf biomass and essential oil, supporting sustainable production and habitat protection for dune vegetation.
Scientific and model use:
The species is included in genomic studies of the Lamiaceae and Verbenaceae. Sequences and secondary-metabolite pathway research on Vitex taxa, along with chemical ecology studies on coastal dune ecosystems, provide resources for comparative genomics and plant–environment interaction analyses.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Vitex ovata | Thunb. | Syst. Nat. ed. 14 : 578 (1784) |
| Vitex repens | Blanco | Fl. Filip. : 513 (1837) |
| Vitex rotundifolia f. albiflora | S.S.Ying | Coloured Ill. Pl. Taiwan 1: 504 (1987) |
| Vitex rotundifolia f. albescens | Hiyama | J. Jap. Bot. 22: 56 1948 |
| Vitex rotundifolia f. rosea | Satomi | J. Phytogeogr. Taxon. 31: 30 (1983) |
| Vitex trifolia var. simplicifolia | Cham. | Linnaea 7: 107 (1832) |
| Vitex agnus-castus var. ovata | (Thunb.) Kuntze | Revis. Gen. Pl. 2: 511. 1891 |
| Vitex trifolia var. unifoliolata | Schauer | Prodr. 11: 683 (1847) |
| Vitex ovata var. subtrisecta | Kuntze | Revis. Gen. Pl. 2: 511. 1891 |
| Vitex trifolia var. obovata | Benth. | Fl. Austral. 5: 67 (1870) |
| Vitex trifolia subsp. litoralis | Steenis | Blumea 8: 516 (1957) |
| Vitex trifolia var. repens | (Blanco) Ridl. | Fl. Malay Penins. 2: 63 (1923) |
| Vitex trifolia var. ovata | (Thunb.) Makino | Bot. Mag. (Tokyo) 17: 92 (1903) |
| Vitex rotundifolia f. albiflora | Y.N.Lee | Bull. Korea Pl. Res. 5: 26 (2005) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | round-leaf vitex |
| English | roundleaf chastetree |
| English | beach vitex |
| Arabic | بنجي كشت |
| hak | san‵bu‵giong‵ |
| Hawaiian | pōhinahina |
| Indonesian | alaban tanah |
| Japanese | マンケイシ |
| Japanese | ハマゴウ |
| Japanese | 蔓荊子 |
| Japanese | ハマハイ |
| Korean | 만형자 |
| Korean | 만형자나무 |
| Korean | 순비기나무 |
| pwn | ljapupuk |
| Thai | คนทีสอทะเล |
| Chinese | 單葉蔓荊 |
| Chinese | 蔓荊子 |
| Chinese | 白埔姜 |
| Chinese | 海埔姜 |
| Chinese | 蔓荆子 |
| Chinese | 单叶蔓荆 |
| Chinese | 山埔姜 |
Germination/Propagation Top
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No germination or propagation data was added yet.
Distribution (via POWO/KEW) Top
No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| KEW | urn:lsid:ipni.org:names:77188351-1 |
| NCBI Taxonomy | 548853 |
| GBIF | 7845672 |
| CMAUP | NPO15454 |
| World Flora Online | wfo-0000333413 |
| UNII | 836ECQ7DGX |
| Florida Plant Atlas | 4394 |
| Flora of Alabama | 3706 |
| USDA Plants | VIRO80 |
| Tropicos | 33702224 |
| KEW | urn:lsid:ipni.org:names:865973-1 |
| Plantarium | 61134 |
| Missouri Botanical Garden | 287494 |
| Open Tree Of Life | 962113 |
| NCBI Taxonomy | 413484 |
| Nature Serve | 2.143418 |
| IPNI | 865973-1 |
| iNaturalist | 126845 |
| GBIF | 2925558 |
| Freebase | /m/0c40xkw |
| USDA GRIN | 41839 |
Genomes (via NCBI) Top
No reference genome is available on NCBI yet. We are constantly monitoring for new data.
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
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Phytochemical Profile Top
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Below are displayed the proven (via scientific papers) natural compounds!
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| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives | |||||
| 4-Hydroxybenzoic acid | 135 | Click to see C1=CC(=CC=C1C(=O)O)O | 138.12 | unknown | https://doi.org/10.1248/CPB.34.4829 |
| Protocatechuic Acid | 72 | Click to see | 154.12 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives | |||||
| Methyl Vanillate | 19844 | Click to see | 182.17 | unknown | via CMAUP database |
| Vanillic Acid | 8468 | Click to see COC1=C(C=CC(=C1)C(=O)O)O | 168.15 | unknown |
https://doi.org/10.1248/CPB.34.4829 https://doi.org/10.1016/S0944-7113(11)80033-4 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters | |||||
| Methylparaben | 7456 | Click to see | 152.15 | unknown | via CMAUP database |
| > Benzenoids / Fluorenes | |||||
| (7R)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde | 154497680 | Click to see | 366.40 | unknown | https://doi.org/10.1021/NP000307B |
| (7S)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde | 162849506 | Click to see | 366.40 | unknown | https://doi.org/10.1016/S0031-9422(99)00405-7 |
| Vitrofolal C | 10361525 | Click to see | 366.40 | unknown |
https://doi.org/10.1021/NP000307B https://doi.org/10.1016/S0031-9422(99)00405-7 |
| Vitrofolal D | 10384147 | Click to see COC1=C(C=C2C(=C1)C3=C4C(=CC(=C3C2=O)C=O)C=CC(=C4OC)O)OC | 364.30 | unknown | https://doi.org/10.1021/NP000307B |
| > Benzenoids / Naphthalenes / Naphthols and derivatives | |||||
| Vitrofolal A | 21592421 | Click to see | 338.40 | unknown |
https://doi.org/10.1021/NP000307B https://doi.org/10.1016/S0031-9422(99)00405-7 |
| Vitrofolal B | 44584755 | Click to see | 354.40 | unknown |
https://doi.org/10.1016/S0031-9422(99)00405-7 https://doi.org/10.1021/NP000307B |
| Vitrofolal E | 10947295 | Click to see COC1=C(C=CC(=C1)C2=CC(=CC3=CC(=C(C=C32)O)OC)C=O)O | 324.30 | unknown | https://doi.org/10.1021/NP000307B |
| Vitrofolal F | 11013229 | Click to see | 340.30 | unknown | https://doi.org/10.1021/NP000307B |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| 1,2,3-Propanetriol, 1-(4-hydroxy-3-methoxyphenyl)-, (1R,2R)- | 11063784 | Click to see | 214.21 | unknown | https://doi.org/10.1248/CPB.46.655 |
| 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)- | 5352904 | Click to see | 178.18 | unknown | via CMAUP database |
| 2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde | 11389509 | Click to see | 155.17 | unknown | via CMAUP database |
| Guaiacylglycerol | 14579 | Click to see | 214.21 | unknown | https://doi.org/10.1248/CPB.46.655 |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
| Dotriacontane | 11008 | Click to see | 450.90 | unknown | via CMAUP database |
| Hentriacontane | 12410 | Click to see | 436.80 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Arylnaphthalene lignans | |||||
| 4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-3H-benzo[f][2]benzofuran-1-one | 11079065 | Click to see COC1=C(C=C(C=C1)C2=C3C(=CC4=C2COC4=O)C=CC(=C3OC)O)OC | 366.40 | unknown | https://doi.org/10.1021/NP000307B |
| 9-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-1H-benzo[f][2]benzofuran-3-one | 11100627 | Click to see | 366.40 | unknown | https://doi.org/10.1021/NP000307B |
| Detetrahydroconidendrin | 10617963 | Click to see | 352.30 | unknown | https://doi.org/10.1021/NP000307B |
| > Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans | |||||
| Secoisolariciresinol | 65373 | Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O | 362.40 | unknown | https://doi.org/10.1021/NP000307B |
| > Lignans, neolignans and related compounds / Furanoid lignans | |||||
| 2-[4-[(3R,6R)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol | 73349492 | Click to see | 584.60 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans | |||||
| Lariciresinol | 332427 | Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O | 360.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| 9-Hexadecenoic acid | 4668 | Click to see CCCCCCC=CCCCCCCCC(=O)O | 254.41 | unknown | via CMAUP database |
| Gadelaidic acid | 5460988 | Click to see | 310.50 | unknown | via CMAUP database |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | via CMAUP database |
| Stearic Acid | 5281 | Click to see | 284.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids | |||||
| Behenic Acid | 8215 | Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O | 340.60 | unknown | via CMAUP database |
| Cetoleic Acid | 5282771 | Click to see | 338.60 | unknown | via CMAUP database |
| Nervonic Acid | 5281120 | Click to see CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O | 366.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Linoleic Acid | 5280450 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoalkylglycerols | |||||
| 1-O-(9Z-octadecenyl)-sn-glycerol | 53242580 | Click to see | 342.60 | unknown | via CMAUP database |
| 1-O-Octadecyl-sn-glycerol | 10860876 | Click to see CCCCCCCCCCCCCCCCCCOCC(CO)O | 344.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids | |||||
| (13S)-vitexifolin A | 636732 | Click to see | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
| (2R,4aS,10aR)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol | 11033408 | Click to see | 284.40 | unknown | https://doi.org/10.1021/NP0105331 |
| (2S,4aR,10aS)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol | 162987350 | Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C | 284.40 | unknown | https://doi.org/10.1021/NP0105331 |
| (2S,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol | 53496760 | Click to see | 302.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| (3R)-5-[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol | 101696494 | Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
| 1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- | 238792 | Click to see | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
| 13R-vitexifolin A | 90657688 | Click to see | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
| 2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol | 85374231 | Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C | 284.40 | unknown | https://doi.org/10.1021/NP0105331 |
| CID 100992389 | 100992389 | Click to see | 424.60 | unknown | https://doi.org/10.1021/NP0105331 |
| CID 101077828 | 101077828 | Click to see | 366.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 101077831 | 101077831 | Click to see | 366.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 102090429 | 102090429 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C | 362.50 | unknown | via CMAUP database |
| CID 11796606 | 11796606 | Click to see | 424.60 | unknown | via CMAUP database |
| CID 162970470 | 162970470 | Click to see | 362.50 | unknown | https://doi.org/10.1246/CL.1973.937 |
| CID 162970471 | 162970471 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C | 362.50 | unknown | https://doi.org/10.1246/CL.1973.937 |
| CID 163097292 | 163097292 | Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C | 366.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 73105256 | 73105256 | Click to see | 424.60 | unknown | https://doi.org/10.1021/NP0105331 |
| CID 85216571 | 85216571 | Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C | 366.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| Ferruginol | 442027 | Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O | 286.50 | unknown | https://doi.org/10.1021/NP990204X |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids | |||||
| (1R,2R,4aR,5S,6S,8aS)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol | 162954428 | Click to see | 324.50 | unknown | https://doi.org/10.1021/NP0105331 |
| (1S,2S,4aS,5R,6R,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol | 101181864 | Click to see | 324.50 | unknown | https://doi.org/10.1021/NP0105331 |
| (4aR,7R,8R)-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one | 73357084 | Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C | 304.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| (5beta,9R,10alpha)-15,16-Epoxylabda-8(17),13(16),14-trien-19-oic acid | 10245240 | Click to see CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O | 316.40 | unknown | https://doi.org/10.1021/JF00060A004 |
| [(1R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 5321001 | Click to see | 362.50 | unknown |
https://doi.org/10.1002/BMC.841 https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1002/PTR.871 |
| [(3R,4S,4aS,8aS)-1-acetyloxy-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4,4a,8,8-pentamethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate | 102484307 | Click to see | 422.60 | unknown | via CMAUP database |
| 1-[2-(3-Furyl)ethyl]decahydro-2alpha,5,5,8abeta-tetramethylnaphthalene-1alpha,4beta-diol 4-acetate | 18008144 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C | 362.50 | unknown |
https://doi.org/10.1248/CPB.24.1668 https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1246/CL.1973.937 |
| 5-(3-hydroxy-3-methylpent-4-enyl)-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol | 73190609 | Click to see | 324.50 | unknown | https://doi.org/10.1021/NP0105331 |
| Rotundifuran | 9841926 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C | 362.50 | unknown |
https://doi.org/10.1248/CPB.24.1668 https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1002/PTR.743 https://doi.org/10.1002/PTR.871 https://doi.org/10.1246/CL.1973.937 |
| Vitetrifolin B | 15543011 | Click to see | 362.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (-)-Camphene | 440966 | Click to see | 136.23 | unknown | via CMAUP database |
| Beta-Pinene | 14896 | Click to see | 136.23 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives | |||||
| (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid | 10750613 | Click to see C1C(C(C(=C1CO)C(=O)O)CCO)O | 202.20 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| (5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde | 11105549 | Click to see | 152.19 | unknown | https://doi.org/10.1271/BBB.59.1979 |
| 2-(2-Hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol | 53462571 | Click to see | 188.22 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| 4-Hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid | 85255658 | Click to see | 202.20 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Eucommiol | 154373 | Click to see | 188.22 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Rotundial | 10964699 | Click to see | 152.19 | unknown | https://doi.org/10.1271/BBB.59.1979 |
| > Lipids and lipid-like molecules / Prenol lipids / Retinoids | |||||
| (3S,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-ol | 16750109 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)CCO)C | 288.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| 4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol | 5315645 | Click to see CC(=CCCC1(C2CCC1(C(C2)O)C)C)C | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids | |||||
| (5R)-4,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-3-carbaldehyde | 124356043 | Click to see | 242.27 | unknown | https://doi.org/10.3987/R-1984-10-2203 |
| (S)-Viteralone | 92030371 | Click to see | 242.27 | unknown | https://doi.org/10.3987/R-1984-10-2203 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids | |||||
| (+)-Taraxerol | 42608290 | Click to see | 426.70 | unknown | via CMAUP database |
| Taraxerol | 92097 | Click to see | 426.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides | |||||
| (6,6-Dimethylbicyclo(3.1.1)hept-2-ylidene)methyl 6-O-alpha-L-arabinopyranosyl-beta-D-Glucopyranoside (1S-(1alpha,2Z,5alpha))- | 3036428 | Click to see | 446.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides | |||||
| [(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 10769138 | Click to see | 556.60 | unknown | https://doi.org/10.1016/S0031-9422(97)00863-7 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides | |||||
| (1S,4aS,7S,7aS)-1-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid | 16655052 | Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O | 496.50 | unknown | https://doi.org/10.1016/J.JPBA.2011.12.007 |
| (3R,4S,5S,6R)-2-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 45358109 | Click to see | 348.34 | unknown | via CMAUP database |
| [(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate | 17750979 | Click to see | 466.40 | unknown | via CMAUP database |
| [(1S,5S)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate | 92131257 | Click to see | 466.40 | unknown | via CMAUP database |
| [4a,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate | 162916671 | Click to see | 508.50 | unknown | https://doi.org/10.1016/0031-9422(88)83153-4 |
| [5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate | 3512643 | Click to see | 466.40 | unknown | https://doi.org/10.1248/CPB.46.655 |
| 1-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid | 102032626 | Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O | 496.50 | unknown | via CMAUP database |
| Agnuside | 442416 | Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O | 466.40 | unknown |
https://doi.org/10.1248/CPB.45.1094 https://doi.org/10.1002/BMC.841 https://doi.org/10.1248/CPB.46.655 https://doi.org/10.1211/JPP.59.9.0016 |
| CID 51346123 | 51346123 | Click to see | 466.40 | unknown | via CMAUP database |
| Negundoside | 9935561 | Click to see | 496.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
| Isoiridomyrmecin | 120743 | Click to see | 168.23 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones | |||||
| [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 10022565 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C | 378.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| [(1R,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 101077821 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C | 378.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| [(1S,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 101077825 | Click to see | 378.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| [(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 163027005 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(OC3=O)OC)O)C)(C)C)OC(=O)C | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| [(2S,4aS,5R,6R,8aS)-5-hydroxy-1,1,4a,6-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate | 72375238 | Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC(=O)C)(C)C | 378.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| [4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 20598215 | Click to see | 378.50 | unknown |
https://doi.org/10.1021/NP0105331 https://doi.org/10.1248/CPB.34.4829 |
| [4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 85095220 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C | 378.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| [4-hydroxy-4-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate | 85259695 | Click to see | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| 4-[2-[(1R,2R,4aS,6S,8aS)-1,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one | 51040815 | Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)O)(C)C | 336.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| 4-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-2H-furan-5-one | 71492248 | Click to see | 320.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| CID 101077823 | 101077823 | Click to see | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 101077824 | 101077824 | Click to see | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 101357919 | 101357919 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C | 378.50 | unknown | https://doi.org/10.1248/CPB.34.4829 |
| CID 162919964 | 162919964 | Click to see | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 162919965 | 162919965 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 73817522 | 73817522 | Click to see | 378.50 | unknown | https://doi.org/10.1248/CPB.34.4829 |
| CID 75604483 | 75604483 | Click to see | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| CID 85208587 | 85208587 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
| Previtexilactone | 21636179 | Click to see | 378.50 | unknown | https://doi.org/10.1248/CPB.34.4829 |
| Viteagnusin I | 73349491 | Click to see | 394.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Vitexilactone | 21636178 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C | 378.50 | unknown |
https://doi.org/10.1248/CPB.49.82 https://doi.org/10.1248/CPB.34.4829 https://doi.org/10.1021/NP0105331 https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (+)-Ursolic Acid | 64945 | Click to see | 456.70 | unknown | via CMAUP database |
| (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 45358157 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | 456.70 | unknown | via CMAUP database |
| (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | 11897956 | Click to see | 456.70 | unknown | via CMAUP database |
| (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 45483617 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | 456.70 | unknown | via CMAUP database |
| 9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde | 317607 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O | 440.70 | unknown | via CMAUP database |
| Betulinic Acid | 64971 | Click to see | 456.70 | unknown | via CMAUP database |
| Super Squalene; trans-Squalene;AddaVax | 1105 | Click to see | 410.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| Sitogluside | 5742590 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives | |||||
| [(1S,2R,3S,4R)-1-acetyloxy-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate | 38363004 | Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C | 406.60 | unknown | https://doi.org/10.1021/NP0105331 |
| [1-Acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate | 23757094 | Click to see | 406.60 | unknown | https://doi.org/10.1021/NP0105331 |
| Vitetrifolin D | 11015016 | Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C | 406.60 | unknown |
https://doi.org/10.1021/NP0105331 https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols | |||||
| (1S,2R,3S,4R)-4-(3-hydroxy-3-methylpent-4-enyl)-1-methoxy-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-ol | 72375122 | Click to see | 336.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Vitetrifolin E | 11143042 | Click to see | 364.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Vitetrifolin F | 11222285 | Click to see | 364.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Vitetrifolin G | 10892069 | Click to see | 304.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds | |||||
| [(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate | 16727712 | Click to see C1=COC(C2C1C(C(=C2)COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O | 466.40 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| [5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate | 73312757 | Click to see | 466.40 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Viteagnusin F | 44475041 | Click to see | 426.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Viteagnusin G | 44475044 | Click to see | 426.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides | |||||
| [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate | 101945298 | Click to see | 504.50 | unknown | https://doi.org/10.1248/CPB.46.655 |
| [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate | 10695350 | Click to see | 462.40 | unknown | https://doi.org/10.1248/CPB.46.655 |
| [4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate | 85235549 | Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O | 462.40 | unknown | https://doi.org/10.1248/CPB.46.655 |
| 4-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one | 14020144 | Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O | 342.34 | unknown | https://doi.org/10.1016/0031-9422(88)83153-4 |
| 4-[3-Hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one | 14020143 | Click to see | 342.34 | unknown | https://doi.org/10.1016/0031-9422(88)83153-4 |
| Vitexfolin A | 10458788 | Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O | 504.50 | unknown | https://doi.org/10.1248/CPB.46.655 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes | |||||
| 4-Hydroxybenzaldehyde | 126 | Click to see | 122.12 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| 4'-Hydroxyacetophenone | 7469 | Click to see | 136.15 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides | |||||
| (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one | 10702623 | Click to see C1C(C(C2=C1COC2=O)CCO)O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| 5-Hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one | 85238792 | Click to see C1C(C(C2=C1COC2=O)CCO)O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| > Organoheterocyclic compounds / Lactones / Delta valerolactones | |||||
| (3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl) acetate | 73819182 | Click to see | 336.50 | unknown | https://doi.org/10.1021/NP0105331 |
| [(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate | 162874968 | Click to see | 336.50 | unknown | https://doi.org/10.1021/NP0105331 |
| 5-hydroxy-7-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one | 85204058 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Kiglikynkwylit-yjlwdspxsa- | 21668660 | Click to see CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C | 336.50 | unknown | https://doi.org/10.1021/NP0105331 |
| Viteoid II | 10607533 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| (3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl) acetate | 73122009 | Click to see | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
| [(1R,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate | 163186598 | Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
| [(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate | 163043414 | Click to see | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
| 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one | 15559823 | Click to see | 264.40 | unknown | https://doi.org/10.1021/NP0105331 |
| 4,5-Bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one | 85303656 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Hxilytqmwoycat-uifitflssa- | 11834250 | Click to see | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
| Iso-ambreinolide | 15559824 | Click to see | 264.40 | unknown | https://doi.org/10.1021/NP0105331 |
| Pedicularislactone | 10888602 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| Trisnor-gamma-lactone | 21668661 | Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C | 322.40 | unknown | via CMAUP database |
| Vitedoin B | 11771639 | Click to see CC1CCC2C(C(CCC2(C13CCC(=O)O3)C)OC(=O)C)(C)C | 322.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Organoheterocyclic compounds / Oxanes | |||||
| (4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one | 131108302 | Click to see C1C2C(C=C(C2OCC1=O)CO)O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| 5-Hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one | 130151041 | Click to see | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| > Organoheterocyclic compounds / Pyrrolines | |||||
| Vitexilactam A | 21609581 | Click to see | 377.50 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Tetrahydrofurans | |||||
| Vitex norditerpenoid 1 | 11208535 | Click to see CC1CCC2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C | 290.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
| (7S,8R)-Dihydrodehydrodiconiferyl Alcohol | 384679 | Click to see | 360.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| [(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate | 163188218 | Click to see | 642.60 | unknown | https://doi.org/10.1248/CPB.46.655 |
| [4,5-Dihydroxy-2-[[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate | 85184115 | Click to see COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)OC)CCCO | 642.60 | unknown | https://doi.org/10.1248/CPB.46.655 |
| 4-[(2S,3R)-5-(3,3-dimethoxyprop-1-enyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol | 162864938 | Click to see | 402.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| 4-[(2S,3R)-5-[(E)-3-hydroxy-3-methoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol | 72375239 | Click to see | 388.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| 4-[(2S,3R)-5-[(Z)-3,3-dimethoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol | 72375240 | Click to see | 402.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| Ficusal | 10496641 | Click to see | 330.30 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| Ferulate | 54691413 | Click to see | 193.18 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters | |||||
| Methyl 4-hydroxycinnamate | 5319562 | Click to see COC(=O)C=CC1=CC=C(C=C1)O | 178.18 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) | 25201972 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)[O-] | 285.23 | unknown | via CMAUP database |
| 5,7,2',5'-Tetrahydroxyflavone | 5487756 | Click to see C1=CC(=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | 286.24 | unknown | via CMAUP database |
| Luteolin | 5280445 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | 286.24 | unknown |
https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1248/CPB.34.4829 https://doi.org/10.1016/S0944-7113(11)80033-4 https://doi.org/10.1002/PTR.871 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
| Izalpinin | 5318691 | Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC=C3)O | 284.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides | |||||
| 8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone | 44257907 | Click to see | 448.40 | unknown | via CMAUP database |
| Vitexin-7-olate | 49791957 | Click to see | 431.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| 7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 85111821 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O | 756.70 | unknown |
https://doi.org/10.1016/0031-9422(88)83153-4 https://doi.org/10.1248/CPB.46.655 https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1248/CPB.45.1094 |
| Luteolin 7-galactoside | 5291488 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids | |||||
| Oroxylin A | 5320315 | Click to see | 284.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids | |||||
| (2S)-3',5-Dihydroxy-4',6,7-trimethoxyflavanone | 44566966 | Click to see | 346.30 | unknown | https://doi.org/10.1021/NP0105331 |
| 5-Hydroxy-6,7,3',4'-Tetramethoxyflavone | 152430 | Click to see | 358.30 | unknown | via CMAUP database |
| 5,3'-Dihydroxy-6,7,4'-Trimethoxyflavanone | 13871373 | Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O | 346.30 | unknown | https://doi.org/10.1021/NP0105331 |
| Artemetin | 5320351 | Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC | 388.40 | unknown |
https://doi.org/10.1016/S0278-6915(00)00079-X https://doi.org/10.1002/PTR.871 https://doi.org/10.1021/NP0105331 https://doi.org/10.1248/CPB.34.4829 |
| Ayanin | 5280682 | Click to see | 344.30 | unknown | via CMAUP database |
| Casticin | 5315263 | Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O | 374.30 | unknown |
https://doi.org/10.1211/JPP.59.9.0016 https://doi.org/10.1016/J.BMCL.2013.08.004 https://doi.org/10.1007/S00277-008-0677-3 https://doi.org/10.1016/S0944-7113(11)80033-4 https://doi.org/10.1007/BF02976430 https://doi.org/10.1002/PTR.871 https://doi.org/10.1021/NP0105331 https://doi.org/10.1248/CPB.46.655 https://doi.org/10.1016/J.CANLET.2004.01.012 https://doi.org/10.1055/S-2006-957511 https://doi.org/10.1016/S0278-6915(00)00079-X https://doi.org/10.1248/CPB.34.4829 |
| chrysoplenol D | 5280699 | Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC | 360.30 | unknown | https://doi.org/10.1016/S0278-6915(00)00079-X |
| Chrysosplenol C | 189065 | Click to see | 360.30 | unknown | https://doi.org/10.1002/PTR.871 |
| Penduletin | 5320462 | Click to see | 344.30 | unknown | https://doi.org/10.1248/CPB.46.655 |
| Persicogenin | 320054 | Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O | 316.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins | |||||
| [(1S,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate | 50990634 | Click to see | 936.60 | unknown | via CMAUP database |
| [(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate | 162887855 | Click to see | 496.50 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate | 10837248 | Click to see | 450.40 | unknown | https://doi.org/10.1248/CPB.46.655 |
| [4,5-Dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate | 85284407 | Click to see | 450.40 | unknown | https://doi.org/10.1248/CPB.46.655 |
| [5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate | 162887854 | Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC3C(C2O)C=COC3OC4C(C(C(C(O4)CO)O)O)O)O | 496.50 | unknown | https://doi.org/10.1248/CPB.45.1094 |
| 10-O-Vanilloylaucubin | 10529276 | Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O | 496.50 | unknown | https://doi.org/10.1248/CPB.46.655 |
| 10-Vanilloylaucubinz | 85136115 | Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O | 496.50 | unknown | https://doi.org/10.1248/CPB.46.655 |
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