5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
| Internal ID | 7999cabd-643c-4520-9601-d9c2645e1f6c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(2R)-6-methylheptan-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H44O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h15-16,18-23,28H,6-14,17H2,1-5H3/t19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1 |
| InChI Key | FOISYVRNZSWLHL-MEKQHADNSA-N |
| Popularity | 29 references in papers |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 416.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 7.20 |
| EnP(5,8) |
| CHEBI:65851 |
| 5alpha,8alpha-epidioxy-cholest-6-en-3beta-ol |
| CHEMBL453272 |
| DTXSID101275867 |
| LMST01010358 |
| 14231-33-5 |
| Q27134345 |
| (3beta,5alpha,8alpha)-5,8-Epidioxycholest-6-en-3-ol |
| (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(2R)-6-methylheptan-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.72% | 97.25% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.69% | 85.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.45% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.23% | 97.09% |
| CHEMBL268 | P43235 | Cathepsin K | 88.13% | 96.85% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.60% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.11% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.82% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.98% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.09% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.88% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.30% | 92.98% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.20% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.58% | 90.08% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.47% | 97.86% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.21% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.97% | 90.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.16% | 98.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.10% | 89.00% |
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 | 11429981 |
| LOTUS | LTS0200414 |
| wikiData | Q27134345 |