(1S,4aR,4bS,7R,8aR,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
| Internal ID | 151d867a-9d78-4706-9aa5-47b511eec810 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aR,4bS,7R,8aR,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol |
| SMILES (Canonical) | CC1(CCC2C3(CCCC(C3CCC2(C1)O)(C)CO)C)C=C |
| SMILES (Isomeric) | C[C@]1(CC[C@H]2[C@@]3(CCC[C@]([C@H]3CC[C@]2(C1)O)(C)CO)C)C=C |
| InChI | InChI=1S/C20H34O2/c1-5-17(2)11-7-16-19(4)10-6-9-18(3,14-21)15(19)8-12-20(16,22)13-17/h5,15-16,21-22H,1,6-14H2,2-4H3/t15-,16+,17-,18-,19-,20-/m1/s1 |
| InChI Key | RIQATFSOVFFVRX-DNDRQTMDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.14% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.69% | 91.11% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.18% | 97.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.84% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.98% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.95% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.72% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.55% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.89% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.42% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.77% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.44% | 93.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.43% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.41% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.62% | 92.94% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.54% | 90.08% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.32% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.00% | 90.24% |
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.
| Tetraclinis articulata |
| PubChem | 163074963 |
| LOTUS | LTS0125366 |
| wikiData | Q105237058 |