[(3S,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]methanol
| Internal ID | 53228394-4933-4e7d-9c8a-37d0216d393b |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(3S,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]methanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)CO)C)C)C |
| SMILES (Isomeric) | C[C@]1(CC[C@H]2[C@@]3(CCCC([C@@H]3CC[C@@]2(O1)C)(C)C)C)CO |
| InChI | InChI=1S/C19H34O2/c1-16(2)9-6-10-18(4)14(16)8-12-19(5)15(18)7-11-17(3,13-20)21-19/h14-15,20H,6-13H2,1-5H3/t14-,15-,17-,18+,19-/m0/s1 |
| InChI Key | NBHRPFKOSJVSLD-JAQSECSASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H34O2 |
| Molecular Weight | 294.50 g/mol |
| Exact Mass | 294.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(3S,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/6f176cb0-8526-11ee-b736-8fe0bccd0cf9.jpg "2D Structure of [(3S,4aS,6aS,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]methanol")
| 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 | 96.33% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.52% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.59% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.23% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.64% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.53% | 96.09% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.22% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.03% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.03% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.89% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.99% | 95.58% |
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.
| Sideritis nutans |
| PubChem | 162951075 |
| LOTUS | LTS0112911 |
| wikiData | Q105176785 |