alpha-Ergostenol
| Internal ID | eaf339d8-25ef-4918-8a31-f4dd68f9d77c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)O |
| SMILES (Isomeric) | CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)O |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3 |
| InChI Key | AWYDNKRGSOPYQB-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C28H48O |
| Molecular Weight | 400.70 g/mol |
| Exact Mass | 400.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.20 |
| Ergost-8(14)-en-3-ol |
| 5.alpha.-Ergost-8(14)-en-3.beta.-ol |
| NSC224270 |
| SCHEMBL4429574 |
| DTXSID10310283 |
| DTXSID70871800 |
| 5alpha-Ergost-8(14)-en-3beta-ol |
| Ergost-8(14)-en-3-ol,5.alpha.)- |
| (24S)-beta-Methyl cholest-8(14)-enol |
| (3beta,5alpha,24S)-Ergost-8(14)-en-3-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 | 94.69% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.65% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.78% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.56% | 95.93% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.02% | 95.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.81% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.15% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.04% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.50% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.97% | 89.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.08% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.61% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.94% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.26% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.04% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.78% | 98.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.46% | 94.45% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.44% | 93.89% |
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.
| Dioscorea oppositifolia |
| PubChem | 312796 |
| LOTUS | LTS0231632 |
| wikiData | Q104920369 |