(4aS,4bR,7S,8aR,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,9-diol
| Internal ID | eb85f150-bd11-4273-87bb-ec8a1847a445 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,4bR,7S,8aR,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,9-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C3(C2CCC(C3)(C)C=C)O)O)C)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@H]2[C@]3(CCCC([C@@H]3C[C@@H]([C@]2(C1)O)O)(C)C)C)C=C |
| InChI | InChI=1S/C20H34O2/c1-6-18(4)11-8-14-19(5)10-7-9-17(2,3)15(19)12-16(21)20(14,22)13-18/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15+,16+,18+,19-,20-/m1/s1 |
| InChI Key | MHLUYFQRMRBWBH-ZHAUUAPESA-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 | 5.20 |
| 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 | 95.14% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.83% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.32% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.49% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.36% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.10% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.82% | 91.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.99% | 98.10% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.79% | 95.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.55% | 95.50% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.50% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.46% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.76% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.93% | 96.09% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.54% | 99.29% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.33% | 96.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.07% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.95% | 92.94% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.79% | 98.99% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.69% | 97.64% |
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.
| Vellozia compacta |
| PubChem | 132580050 |
| LOTUS | LTS0208919 |
| wikiData | Q105163867 |