13-Methyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
| Internal ID | 736e1a12-b47e-4591-97c2-7a4f7f0b300e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 13-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H46O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h17,19-26,28H,3,6-16H2,1-2,4-5H3 |
| InChI Key | RMTVWWDYVPCYCG-UHFFFAOYSA-N |
| Popularity | 0 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 | 9.00 |
| There are no found synonyms. |
![2D Structure of 13-Methyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b2d47cb0-86d4-11ee-8edc-db54c666ea83.jpg "2D Structure of 13-Methyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.94% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.65% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.81% | 95.58% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.32% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.99% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.15% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.33% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.64% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.23% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.90% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.36% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.26% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.45% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.39% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.37% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.83% | 95.88% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.13% | 85.31% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.88% | 98.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.81% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.70% | 96.47% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 82.99% | 81.88% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.79% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.77% | 97.79% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.27% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL240 | Q12809 | HERG | 81.92% | 89.76% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.44% | 92.88% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.41% | 96.77% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.26% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.99% | 98.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.35% | 93.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.23% | 100.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.12% | 96.03% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.02% | 95.34% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162856332 |
| LOTUS | LTS0054618 |
| wikiData | Q105241056 |