Vitex trifolia subsp. litoralis
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Table of Contents
Details Top
Internal ID | UUID643ff0a39a633656363271 |
Scientific name | Vitex trifolia subsp. litoralis |
Authority | Steenis |
First published in | Blumea 8: 516 (1957) |
Description Top
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Common names Top
Add a new one! Suggest a correction!Language | Common/alternative name |
---|---|
English | beach vitex |
English | round-leaf vitex |
English | roundleaf chastetree |
English | vitex trifolia ssp. litoralis |
Germination/Propagation Top
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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 |
---|---|
World Flora Online | wfo-0000333507 |
KEW | urn:lsid:ipni.org:names:77188351-1 |
NCBI Taxonomy | 548853 |
GBIF | 7845672 |
CMAUP | NPO15454 |
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 | |||||
3,4-Dihydroxybenzoic acid | 72 | Click to see C1=CC(=C(C=C1C(=O)O)O)O | 154.12 | unknown | via CMAUP database |
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 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives | |||||
Methyl vanillate | 19844 | Click to see COC1=C(C=CC(=C1)C(=O)OC)O | 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 COC(=O)C1=CC=C(C=C1)O | 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 COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC | 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 COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC | 366.40 | unknown | https://doi.org/10.1016/S0031-9422(99)00405-7 |
vitrofolal C | 10361525 | Click to see COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC | 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 COC1=C(C=C(C=C1)C2=C3C(=CC(=C2)C=O)C=CC(=C3OC)O)OC | 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 COC1=C(C=C(C=C1)C2=C3C(=CC(=C2O)C=O)C=CC(=C3OC)O)OC | 354.40 | unknown |
https://doi.org/10.1021/NP000307B https://doi.org/10.1016/S0031-9422(99)00405-7 |
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 COC1=CC2=CC(=C(C(=C2C=C1O)C3=CC(=C(C=C3)O)OC)O)C=O | 340.30 | unknown | https://doi.org/10.1021/NP000307B |
> Benzenoids / Phenols / Methoxyphenols | |||||
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)- | 5352904 | Click to see COC1=C(C=CC(=C1)C=CC=O)O | 178.18 | unknown | via CMAUP database |
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde | 11389509 | Click to see COC1=C(C=CC(=C1)C=O)O | 155.17 | unknown | via CMAUP database |
Guaiacylglycerol | 14579 | Click to see COC1=C(C=CC(=C1)C(C(CO)O)O)O | 214.21 | unknown | https://doi.org/10.1248/CPB.46.655 |
threo-Guaiacylglycerol | 11063784 | Click to see COC1=C(C=CC(=C1)C(C(CO)O)O)O | 214.21 | unknown | https://doi.org/10.1248/CPB.46.655 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
Dotriacontane | 11008 | Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | 450.90 | unknown | via CMAUP database |
Hentriacontane | 12410 | Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | 436.80 | unknown | via CMAUP database |
> Lignans, neolignans and related compounds / Arylnaphthalene lignans | |||||
4-(3,4-Dimethoxyphenyl)-5-methoxy-6-hydroxynaphtho[2,3-c]furan-1(3H)-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 |
4-(3,4-dimethoxyphenyl)-6-hydroxy-7-methoxynaphtho[2,3-c]furan-1(3H)-one | 11100627 | Click to see COC1=C(C=C(C=C1)C2=C3C=C(C(=CC3=CC4=C2COC4=O)OC)O)OC | 366.40 | unknown | https://doi.org/10.1021/NP000307B |
Detetrahydroconidendrin | 10617963 | Click to see COC1=CC2=CC3=C(COC3=O)C(=C2C=C1O)C4=CC(=C(C=C4)O)OC | 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 COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC(CO)C(C5=CC(=C(C=C5)O)OC)O)OC | 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-Eicosenoic acid | 5460988 | Click to see CCCCCCCCCCC=CCCCCCCCC(=O)O | 310.50 | unknown | via CMAUP database |
Palmitic Acid | 985 | Click to see CCCCCCCCCCCCCCCC(=O)O | 256.42 | unknown | via CMAUP database |
Palmitolinoleic acid | 4668 | Click to see CCCCCCC=CCCCCCCCC(=O)O | 254.41 | unknown | via CMAUP database |
Stearic Acid | 5281 | Click to see CCCCCCCCCCCCCCCCCC(=O)O | 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 CCCCCCCCCCC=CCCCCCCCCCC(=O)O | 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 CCCCCCCCC=CCCCCCCCCOCC(CO)O | 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 CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
(1R,2R,2''R,4R,4aS,5'S,5''R,8aS)-4-Acetoxy-3,4,4a,5,6,7,8,8a-octahydro-2'',5''-dimethoxy-2,5,5,8a-tetramethyldispiro[naphthalene-1(2H),2'-oxolane-5',4''-oxolane] | 11796606 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C | 424.60 | unknown | via CMAUP database |
(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 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,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 |
(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 |
(5R,8S,9S,10R,13R,15R,16S)-9,13:15,16-Diepoxy-15,16-dimethoxylabdane | 101077831 | Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C | 366.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- | 238792 | Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C | 290.50 | unknown | https://doi.org/10.1021/NP0105331 |
13R-vitexifolin A | 90657688 | Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C | 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 CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C | 424.60 | unknown | https://doi.org/10.1021/NP0105331 |
CID 101077828 | 101077828 | 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 162970470 | 162970470 | 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 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 CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C | 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 |
Isolophanthin A | 53496760 | Click to see CC1(C2CCC3=C(C2(CCC1O)C)C=CC(=C3)C(C)(C)O)C | 302.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Prerotundifuran | 102090429 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C | 362.50 | unknown | via CMAUP database |
> 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 CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C | 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 CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C | 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 |
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 CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C | 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 |
Viterifolin D | 102484307 | Click to see CC1C(C(C2C(CCCC2(C1(C)CCC(C)(C=C)O)C)(C)C)OC(=O)C)OC(=O)C | 422.60 | unknown | via CMAUP database |
Vitetrifolin B | 15543011 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C | 362.50 | unknown | via CMAUP database |
Vitexifolin B | 101181864 | Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C | 324.50 | unknown | https://doi.org/10.1021/NP0105331 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
(-)-Camphene | 440966 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
beta-Pinene | 14896 | Click to see CC1(C2CCC(=C)C1C2)C | 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 CC1=C(C(CC1)CC=O)C=O | 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 C1C(C(C(=C1CO)CO)CCO)O | 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 C1C(C(C(=C1CO)C(=O)O)CCO)O | 202.20 | unknown | https://doi.org/10.1248/CPB.45.1094 |
Eucommiol | 154373 | Click to see C1C(C(C(=C1CO)CO)CCO)O | 188.22 | unknown | https://doi.org/10.1248/CPB.45.1094 |
Rotundial | 10964699 | Click to see CC1=C(C(CC1)CC=O)C=O | 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 CC1CCC(=O)C2=CC3=C(C(=C12)C)C(=CO3)C=O | 242.27 | unknown | https://doi.org/10.3987/R-1984-10-2203 |
(S)-Viteralone | 92030371 | Click to see CC1CCC(=O)C2=CC3=C(C(=C12)C)C(=CO3)C=O | 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 CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C | 426.70 | unknown | via CMAUP database |
Taraxerol | 92097 | Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C | 426.70 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides | |||||
Pinen-10-yl vicianoside | 3036428 | Click to see CC1(C2CCC(=C(C3C(C(C(C(O3)OC)O)O)O)OC4C(C(C(CO4)O)O)O)C1C2)C | 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 CC1CC(C2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC4C(C(C(C(O4)CO)O)O)O)(C)C)OC(=O)C | 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 C1C(C2C(C1O)C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO | 348.34 | unknown | via CMAUP database |
[(1R,4aS,5R,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-7-yl]methyl 4-hydroxybenzoate | 51346123 | 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 | 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 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 | 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 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 | 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 C1=CC(=CC=C1C=CC(=O)OCC2=CC(C3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | 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 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.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/10.1002/BMC.841 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 |
Negundoside | 9935561 | 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 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
Isoiridomyrmecin | 120743 | Click to see CC1CCC2C1COC(=O)C2C | 168.23 | unknown | https://doi.org/10.1248/CPB.45.1094 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones | |||||
(5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone | 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 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-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 CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C | 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 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 |
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 CC1CCC2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C | 320.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
CID 101077823 | 101077823 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C | 408.50 | unknown | https://doi.org/10.1248/CPB.49.82 |
CID 101077824 | 101077824 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C | 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 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 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 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 75604483 | 75604483 | Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C | 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 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 |
Viteagnusin I | 73349491 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C)OC(=O)C | 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/10.1016/J.BMCL.2013.08.004 https://doi.org/10.1021/NP0105331 https://doi.org/10.1248/CPB.34.4829 https://doi.org/10.1248/CPB.49.82 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
(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 CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O | 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 CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O | 456.70 | unknown | via CMAUP database |
Super Squalene; trans-Squalene;AddaVax | 1105 | Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C | 410.70 | unknown | via CMAUP database |
Ursolic Acid | 64945 | 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 |
> 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 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 |
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 CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC)O | 336.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Vitetrifolin E | 11143042 | Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)O | 364.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Vitetrifolin F | 11222285 | Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)O)OC(=O)C | 364.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Vitetrifolin G | 10892069 | Click to see CC1C(C=C2C(=CCCC2(C)C)C1(C)CCC(C)(C=C)O)O | 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 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 |
Vitcagnusin F | 44475041 | Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C | 426.50 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Vitcagnusin G | 44475044 | Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C | 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 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 |
[(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 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 |
[4,5-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 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 |
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 C1=CC(=CC=C1C=O)O | 122.12 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
4'-Hydroxyacetophenone | 7469 | Click to see CC(=O)C1=CC=C(C=C1)O | 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 CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C | 336.50 | unknown | https://doi.org/10.1021/NP0105331 |
(4aR,5R)-5-hydroxy-7-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one | 10607533 | Click to see C1COC(=O)C2=C(CC(C21)O)CO | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
[(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 CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C | 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 C1COC(=O)C2=C(CC(C21)O)CO | 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 |
> 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 CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
(3aR,4S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one | 10888602 | Click to see C1C2C(C=C(C2CO)CO)OC1=O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
[(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 CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C | 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 CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C | 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 C1C2C(C=C(C2CO)CO)OC1=O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
Hxilytqmwoycat-uifitflssa- | 11834250 | Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C | 322.40 | unknown | https://doi.org/10.1021/NP0105331 |
Isoambreinolide | 15559824 | Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C | 264.40 | unknown | https://doi.org/10.1021/NP0105331 |
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 C1C2C(C=C(C2OCC1=O)CO)O | 184.19 | unknown | https://doi.org/10.1248/CPB.45.1094 |
> Organoheterocyclic compounds / Pyrrolines | |||||
Vitexilactam A | 21609581 | Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCNC3=O)O)C)(C)C)OC(=O)C | 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 | |||||
[(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 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 |
[4,5-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 COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(OC)OC | 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 COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(O)OC | 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 COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(OC)OC | 402.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Dihydrodehydrodiconiferyl alcohol | 384679 | Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO | 360.40 | unknown | https://doi.org/10.1016/J.BMCL.2013.08.004 |
Ficusal | 10496641 | Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=O | 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 | |||||
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 54691413 | Click to see COC1=C(C=CC(=C1)C=CC(=O)O)[O-] | 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 | |||||
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 44257907 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
Vitexin-7-olate | 49791957 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)[O-])C4C(C(C(C(O4)CO)O)O)O)O | 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 COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O | 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 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 |
5-Hydroxy-3',4',6,7-tetramethoxyflavone | 152430 | Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC | 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/10.1248/CPB.34.4829 https://doi.org/10.1021/NP0105331 https://doi.org/10.1002/PTR.871 https://doi.org/10.1016/S0278-6915(00)00079-X |
Ayanin | 5280682 | Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O | 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 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O | 360.30 | unknown | https://doi.org/10.1002/PTR.871 |
Penduletin | 5320462 | Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC | 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 C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O | 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 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 |
[(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 COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O | 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 COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O | 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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