3alpha,7beta-Dihydroxy-5beta,6beta-epoxycholestane
| Internal ID | 449ecc4c-5913-4629-923d-012a48ecb763 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-5,10-diol |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C4C5(C3(CCC(C5)O)C)O4)O)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C4C5(C3(CCC(C5)O)C)O4)O)C |
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)19-9-10-20-22-21(12-13-25(19,20)4)26(5)14-11-18(28)15-27(26)24(30-27)23(22)29/h16-24,28-29H,6-15H2,1-5H3 |
| InChI Key | NFSVGWISRPLYOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H46O3 |
| Molecular Weight | 418.70 g/mol |
| Exact Mass | 418.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 7.00 |
| 3.alpha.,7.beta.-Dihydroxy-5.beta.,6.beta.-epoxycholestane |
| 9-(1,5-Dimethylhexyl)-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,6-diol # |
| 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 | 98.16% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.82% | 85.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.00% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.09% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.66% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.38% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.00% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.02% | 89.05% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.77% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.31% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.22% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.08% | 92.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.86% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.83% | 98.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.79% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.74% | 98.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.84% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.15% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.89% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.81% | 90.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.49% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.03% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.01% | 97.14% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.98% | 92.86% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.77% | 95.00% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.15% | 97.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.76% | 96.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 579361 |
| LOTUS | LTS0009898 |
| wikiData | Q105178661 |