7-Ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol
| Internal ID | 07139f61-13f0-4cff-bed9-38e82ba9c24e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol |
| SMILES (Canonical) | CC1(CCC2C3(CCCC(C3C(CC2(C1)O)O)(C)CO)C)C=C |
| SMILES (Isomeric) | CC1(CCC2C3(CCCC(C3C(CC2(C1)O)O)(C)CO)C)C=C |
| InChI | InChI=1S/C20H34O3/c1-5-17(2)10-7-15-19(4)9-6-8-18(3,13-21)16(19)14(22)11-20(15,23)12-17/h5,14-16,21-23H,1,6-13H2,2-4H3 |
| InChI Key | UOXTVAWSBRUAHU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.80 |
| 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 | 95.95% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.70% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.57% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.48% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.50% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.37% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.82% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.16% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.02% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.83% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.35% | 90.17% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.96% | 99.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.85% | 94.75% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 83.38% | 97.34% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.32% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.41% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.86% | 91.03% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.39% | 97.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.61% | 86.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.46% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.21% | 97.05% |
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 | 73802945 |
| LOTUS | LTS0127833 |
| wikiData | Q105276625 |