[(3S,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol
| Internal ID | 66e48832-75d5-4500-b534-0c590a535535 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(CO)C=C)C)C)CO |
| SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@H]1CC[C@]3([C@@H]2CC[C@@](O3)(CO)C=C)C)C)CO |
| InChI | InChI=1S/C20H34O3/c1-5-20(14-22)12-8-16-18(3)10-6-9-17(2,13-21)15(18)7-11-19(16,4)23-20/h5,15-16,21-22H,1,6-14H2,2-4H3/t15-,16+,17+,18+,19-,20+/m0/s1 |
| InChI Key | SCVQZSIEFMYHAN-GPBSYSOESA-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) | 49.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [(3S,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/9d36b570-8406-11ee-b99d-51262af1eefa.jpg "2D Structure of [(3S,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.09% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.91% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.35% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.63% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.04% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.66% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.43% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.53% | 96.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.11% | 85.49% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.55% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.98% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.66% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.53% | 99.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.03% | 92.94% |
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 pauli |
| PubChem | 162938746 |
| LOTUS | LTS0102789 |
| wikiData | Q105250448 |