5beta-cholest-22E-en-3beta-ol
| Internal ID | 69c9d4e4-68fe-4a75-b4d8-ff38971b2db2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6+/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChI Key | BWGQUGBECNWWDB-IYXROPMCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H46O |
| Molecular Weight | 386.70 g/mol |
| Exact Mass | 386.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.50 |
| CHEBI:172982 |
| LMST01010333 |
| (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.12% | 98.10% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.12% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.31% | 96.38% |
| CHEMBL238 | Q01959 | Dopamine transporter | 91.20% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.19% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.94% | 89.05% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.02% | 85.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.00% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.35% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.10% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.43% | 92.86% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.18% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 87.69% | 96.01% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.52% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.43% | 90.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.24% | 95.58% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.21% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.63% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.16% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.66% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.86% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.52% | 90.71% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.46% | 96.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.27% | 98.75% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.64% | 89.92% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.34% | 96.47% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.10% | 99.18% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.82% | 98.05% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.62% | 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 | 52931342 |
| LOTUS | LTS0062902 |
| wikiData | Q104947222 |