Ergostan-3-ol, (3beta,5alpha)-
| Internal ID | 59ca8500-d556-4e9f-907c-38cc8b238c73 |
| 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-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3 |
| InChI Key | ARYTXMNEANMLMU-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C28H50O |
| Molecular Weight | 402.70 g/mol |
| Exact Mass | 402.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.60 |
| 24-methyl-5alpha-cholestan-3beta-ol |
| Ergostan-3-ol, (3.beta.,5.alpha.)- |
| SCHEMBL14350523 |
| 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| FT-0664212 |
| 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 | 96.33% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.55% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.21% | 90.17% |
| CHEMBL238 | Q01959 | Dopamine transporter | 93.12% | 95.88% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.13% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.96% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.12% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.70% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.41% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.73% | 95.93% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.55% | 98.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.77% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.20% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.18% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.64% | 89.05% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.30% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.76% | 100.00% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 81.52% | 95.42% |
| CHEMBL240 | Q12809 | HERG | 81.29% | 89.76% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.62% | 96.03% |
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.
| Catharanthus roseus |
| Clerodendrum chinense |
| Dioscorea polystachya |
| Diplopterygium glaucum |
| Kalanchoe petitiana |
| Posidonia oceanica |
| Salvia jaminiana |
| Zea mays |
| PubChem | 612090 |
| LOTUS | LTS0078929 |
| wikiData | Q104917662 |