2-[(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]ethanol
| Internal ID | b7534f41-30ce-41e8-b7db-607ebd62896b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[(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]ethanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)CCO)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)CCO |
| InChI | InChI=1S/C20H36O2/c1-17(2)9-6-10-19(4)15(17)8-12-20(5)16(19)7-11-18(3,22-20)13-14-21/h15-16,21H,6-14H2,1-5H3/t15-,16-,18-,19+,20-/m0/s1 |
| InChI Key | JVLOQPOJKYSOJJ-HNULKUCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 2-[(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]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/ec88fe50-85a6-11ee-a2aa-95fca418630f.jpg "2D Structure of 2-[(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]ethanol")
| 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 | 97.36% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.16% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.38% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.22% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.63% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.62% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.50% | 83.82% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.99% | 98.46% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.28% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.63% | 100.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.55% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.33% | 92.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.75% | 89.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.35% | 97.93% |
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 | 163095825 |
| LOTUS | LTS0128523 |
| wikiData | Q105135827 |