1-Hydroxy-16-[1-(3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13-trimethyl-17-methylidene-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one
| Internal ID | a7ae3248-0bc2-4150-9641-c5edb0c6e9c0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 1-hydroxy-16-[1-(3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13-trimethyl-17-methylidene-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one |
| SMILES (Canonical) | CC1=CC(C(OC1=O)C(C)C2=CCC3(C4CCC5C(=CC4(CC3C2=C)O)C=CC(=O)OC5(C)C)C)O |
| SMILES (Isomeric) | CC1=CC(C(OC1=O)C(C)C2=CCC3(C4CCC5C(=CC4(CC3C2=C)O)C=CC(=O)OC5(C)C)C)O |
| InChI | InChI=1S/C30H38O6/c1-16-13-23(31)26(35-27(16)33)18(3)20-11-12-29(6)22(17(20)2)15-30(34)14-19-7-10-25(32)36-28(4,5)21(19)8-9-24(29)30/h7,10-11,13-14,18,21-24,26,31,34H,2,8-9,12,15H2,1,3-6H3 |
| InChI Key | NJHQJHDTYYVRFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O6 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 1-Hydroxy-16-[1-(3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13-trimethyl-17-methylidene-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/a49f3db0-8834-11ee-938e-bb3f7e0e8eb3.jpg "2D Structure of 1-Hydroxy-16-[1-(3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13-trimethyl-17-methylidene-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4,15-trien-6-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.95% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.35% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.09% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.92% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.09% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.01% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.01% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.54% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.79% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.25% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.67% | 90.08% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.08% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Kadsura coccinea |
| PubChem | 163024140 |
| LOTUS | LTS0169216 |
| wikiData | Q105180140 |