(1S,4aS,4bR,7S,8S,8aR,10S,10aS)-2-ethenyl-8-(hydroxymethyl)-1,4b,8-trimethyl-4a,5,6,7,8a,9,10,10a-octahydro-4H-phenanthrene-1,7,10-triol
| Internal ID | 9ae4b73c-8fc9-407f-a11f-cbcb1c646dbb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Isocopalane and spongiane diterpenoids |
| IUPAC Name | (1S,4aS,4bR,7S,8S,8aR,10S,10aS)-2-ethenyl-8-(hydroxymethyl)-1,4b,8-trimethyl-4a,5,6,7,8a,9,10,10a-octahydro-4H-phenanthrene-1,7,10-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O4/c1-5-12-6-7-13-17(20(12,4)24)14(22)10-15-18(13,2)9-8-16(23)19(15,3)11-21/h5-6,13-17,21-24H,1,7-11H2,2-4H3/t13-,14-,15+,16-,17-,18+,19+,20+/m0/s1 |
| InChI Key | GHOCXNYFPPUOCL-OERBZUQBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
| 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 | 95.36% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.26% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.12% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.44% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.89% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.61% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.47% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.05% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.57% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.92% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.19% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.41% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 10806804 |
| LOTUS | LTS0161406 |
| wikiData | Q105008629 |