(3R,3aS,6aS,10aS,10bR)-3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one
| Internal ID | 7d0bb3a0-3bba-46da-bda4-4881ef92451f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (3R,3aS,6aS,10aS,10bR)-3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=O)C3C2(CCC3(C)C=C)O)C)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@]2([C@H]1C(=O)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O)C=C |
| InChI | InChI=1S/C20H32O2/c1-6-18(4)12-13-20(22)16(18)14(21)8-9-15-17(2,3)10-7-11-19(15,20)5/h6,15-16,22H,1,7-13H2,2-5H3/t15-,16-,18-,19-,20+/m0/s1 |
| InChI Key | VYYJKKMWUSVWTL-CZKCSJLSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (3R,3aS,6aS,10aS,10bR)-3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4a2b6980-859c-11ee-a75d-796a4583b14a.jpg "2D Structure of (3R,3aS,6aS,10aS,10bR)-3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one")
| 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 | 98.00% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.41% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.47% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.20% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.84% | 97.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.25% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.96% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.71% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.53% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.80% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.35% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.96% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.76% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.10% | 93.04% |
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.
| Salvia parryi |
| PubChem | 162979750 |
| LOTUS | LTS0084730 |
| wikiData | Q105299555 |