(3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
| Internal ID | a5c35485-2c29-4321-8a13-27be21603505 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)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)C=C |
| InChI | InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m1/s1 |
| InChI Key | IGGWKHQYMAJOHK-LHDHZVESSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene](https://plantaedb.com/storage/docs/compounds/2023/11/e8cf8390-8623-11ee-86f6-6dc2bcc7ccf5.jpg "2D Structure of (3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene")
| 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 | 92.18% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 89.34% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.14% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.83% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.26% | 99.18% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.10% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.26% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.19% | 98.99% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.51% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.91% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.78% | 99.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.65% | 95.50% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.56% | 88.81% |
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.
| Cistus creticus |
| Croton insularis |
| PubChem | 15560095 |
| LOTUS | LTS0116394 |
| wikiData | Q105112620 |