Barekol
| Internal ID | a539055d-49b5-4cfe-b1a0-fc9b841481eb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (4aS,6aS,8R,11aS,11bS)-4,4,6a,11b-tetramethyl-9-methylidene-2,3,4a,5,6,7,8,10,11,11a-decahydro-1H-cyclohepta[a]naphthalen-8-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O/c1-14-7-8-17-19(4,13-15(14)21)12-9-16-18(2,3)10-6-11-20(16,17)5/h15-17,21H,1,6-13H2,2-5H3/t15-,16+,17+,19+,20+/m1/s1 |
| InChI Key | FVXFGAOOEQVNTJ-ORZNMBHWSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.00 |
| (4aS,6aS,8R,11aS,11bS)-4,4,6a,11b-tetramethyl-9-methylidene-2,3,4a,5,6,7,8,10,11,11a-decahydro-1H-cyclohepta[a]naphthalen-8-ol |
| 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 | 96.89% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.96% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.01% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.43% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.62% | 99.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.20% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.98% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.56% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.98% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.95% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.32% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.10% | 96.43% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.55% | 93.03% |
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.
| There are no matching plants. |
| PubChem | 21599998 |
| LOTUS | LTS0078066 |
| wikiData | Q105002939 |