24-Methylene-25-methyl-cholest-7-en-3beta-ol
| Internal ID | 14c91cb9-c514-4b08-9d22-a0ff1c9f21c4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(CCC(=C)C(C)(C)C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChI | InChI=1S/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h11,19,21-22,24-26,30H,2,8-10,12-18H2,1,3-7H3/t19-,21+,22+,24-,25+,26+,28+,29-/m1/s1 |
| InChI Key | VGQRBDKDCDCWNB-ULBIVEPRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.90 |
| LMST01030112 |
| 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 | 99.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.56% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.44% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.25% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.90% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.30% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.63% | 98.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.10% | 95.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.60% | 97.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.60% | 96.90% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.18% | 94.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.62% | 92.88% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.13% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.07% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.89% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.97% | 95.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.94% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.71% | 94.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.71% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.68% | 90.71% |
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.
| Sicyos angulatus |
| PubChem | 5283657 |
| LOTUS | LTS0237547 |
| wikiData | Q76294369 |