24-Methylenecholestanol
| Internal ID | 8ce99496-3197-49c1-bcf1-3c3532cf3193 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | (6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptan-1-ol |
| SMILES (Canonical) | CC(CCC(=C)C(C)CO)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=C)C(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C |
| InChI | InChI=1S/C28H48O/c1-19(21(3)18-29)9-10-20(2)24-13-14-25-23-12-11-22-8-6-7-16-27(22,4)26(23)15-17-28(24,25)5/h20-26,29H,1,6-18H2,2-5H3/t20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChI Key | BGRBJNXQOPCWIV-CDQKXPLWSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C28H48O |
| Molecular Weight | 400.70 g/mol |
| Exact Mass | 400.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL237 | P41145 | Kappa opioid receptor | 98.93% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 98.57% | 97.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.12% | 82.69% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.51% | 98.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 91.43% | 95.88% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.57% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.02% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.78% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.13% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.52% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.52% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.13% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.70% | 93.56% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.70% | 96.03% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 86.13% | 95.42% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.01% | 83.82% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.00% | 93.18% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.96% | 95.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.40% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.07% | 89.05% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.77% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.56% | 99.18% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 83.06% | 89.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.93% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.84% | 96.38% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.45% | 88.81% |
| CHEMBL240 | Q12809 | HERG | 82.38% | 89.76% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.08% | 97.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.67% | 97.64% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.09% | 97.79% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.97% | 95.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.88% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.79% | 92.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.71% | 96.43% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.44% | 98.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.05% | 95.89% |
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.
| Helianthus annuus |
| PubChem | 129650528 |
| LOTUS | LTS0039191 |
| wikiData | Q104376086 |