Xestokerol B
| Internal ID | 72f460af-8180-4ec7-958b-2fa5d4555882 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (5S,7R,8R,9S,10S,12R,13S,14S,17S)-7,12-dihydroxy-17-[2-hydroxy-5-(2-methylcyclopropyl)hexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC1CC1C(C)CCC(C)(C2CCC3C2(C(CC4C3C(CC5C4(CCC(=O)C5)C)O)O)C)O |
| SMILES (Isomeric) | CC1CC1C(C)CCC(C)([C@H]2CC[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CCC(=O)C5)C)O)O)C)O |
| InChI | InChI=1S/C29H48O4/c1-16(20-12-17(20)2)8-11-28(4,33)24-7-6-21-26-22(15-25(32)29(21,24)5)27(3)10-9-19(30)13-18(27)14-23(26)31/h16-18,20-26,31-33H,6-15H2,1-5H3/t16?,17?,18-,20?,21+,22+,23-,24-,25-,26+,27+,28?,29+/m1/s1 |
| InChI Key | UAWXUTQLQAYKSX-GVHFUGMBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O4 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.80 |
| CHEMBL462965 |
| 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 | 98.42% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.79% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.67% | 85.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 95.71% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.48% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.01% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.20% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.16% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.36% | 97.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.17% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.16% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.78% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.53% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.54% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.50% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.44% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.36% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.73% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.47% | 93.04% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.92% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.74% | 90.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.92% | 89.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.89% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.22% | 90.93% |
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 | 44584466 |
| LOTUS | LTS0103078 |
| wikiData | Q105269115 |