7beta-Hydroxycholest-4-en-3-one
| Internal ID | b80de38f-19d0-470e-8dd1-3bdc173f2cf4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChI Key | IOIZWEJGGCZDOL-BXLWXSRCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H44O2 |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.30 |
| 7beta-Hydroxycholest-4-en-3-one |
| 7beta-Hydroxy-4-cholesten-3-one |
| 7b-Hydroxy-4-cholesten-3-one |
| (7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 4-CHOLESTEN-7-BETA-OL-3-ONE |
| 4-Cholesten-7beta-ol-3-one |
| Cholest-4-en-3-one, 7-hydroxy-, (7ss)-; Cholest-4-en-3-one, 7ss-hydroxy- (8CI); (7ss)-7-Hydroxycholest-4-en-3-one; ?4-7ss-Hydroxycholestenone; 7ss-Hydroxy-4-cholesten-3-one; 7ss-Hydroxycholest-4-en-3-one |
| SCHEMBL735215 |
| DTXSID60415292 |
| 7 beta -Hydroxy-4-cholesten-3-one |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.05% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.47% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.43% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.38% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.78% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.96% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.68% | 85.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.81% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.29% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.78% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.48% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.34% | 90.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.17% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.82% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.03% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.66% | 93.04% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.55% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.41% | 97.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.33% | 100.00% |
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 | 5284280 |
| LOTUS | LTS0077030 |
| wikiData | Q82224221 |