7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-9-ol
| Internal ID | 1274e3e1-6d6d-422d-b58d-42355f9b7d39 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-9-ol |
| SMILES (Canonical) | CC1(CCC2=C(C1)C(CC3C2(CCCC3(C)CO)C)O)C=C |
| SMILES (Isomeric) | CC1(CCC2=C(C1)C(CC3C2(CCCC3(C)CO)C)O)C=C |
| InChI | InChI=1S/C20H32O2/c1-5-18(2)10-7-15-14(12-18)16(22)11-17-19(3,13-21)8-6-9-20(15,17)4/h5,16-17,21-22H,1,6-13H2,2-4H3 |
| InChI Key | XOJLEWQUNFKLRD-UHFFFAOYSA-N |
| Popularity | 0 references 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 | 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.97% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.72% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.64% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.02% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.90% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.82% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.46% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.92% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.23% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.49% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.72% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.69% | 95.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.66% | 95.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.14% | 97.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.53% | 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.
| Nepeta tuberosa |
| PubChem | 13996030 |
| LOTUS | LTS0199925 |
| wikiData | Q105337768 |