(1S,2R,4aR,4bS,8R,8aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-1-ol
| Internal ID | 8a936095-b2e5-41be-921d-8e3d754783e7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,2R,4aR,4bS,8R,8aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-1-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CC=C3C2CCC(C3O)(C)C=C)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]([C@@H]3O)(C)C=C)C)CO |
| InChI | InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(17(18)22)7-8-16-19(3,13-21)10-6-11-20(15,16)4/h5,7,15-17,21-22H,1,6,8-13H2,2-4H3/t15-,16-,17+,18-,19-,20+/m0/s1 |
| InChI Key | OGDKBMIXPVDZEL-CFSBILQPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.33% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.59% | 95.93% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 91.34% | 99.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.69% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.52% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.82% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.30% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.67% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.74% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.09% | 94.75% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.04% | 85.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.57% | 90.17% |
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.
| Callicarpa macrophylla |
| Salvia greggii |
| PubChem | 122181510 |
| LOTUS | LTS0108337 |
| wikiData | Q105191552 |