13-Methyl-17-(4,5,6-trimethylheptan-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 | 35e38e84-50d7-434e-83d5-aac2f3a1d9e1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 13-methyl-17-(4,5,6-trimethylheptan-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/C28H50O/c1-17(2)20(5)18(3)15-19(4)26-11-12-27-25-9-7-21-16-22(29)8-10-23(21)24(25)13-14-28(26,27)6/h17-27,29H,7-16H2,1-6H3 |
| InChI Key | CMXHVJSZSBTYDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H50O |
| Molecular Weight | 402.70 g/mol |
| Exact Mass | 402.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 13-Methyl-17-(4,5,6-trimethylheptan-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/2023/11/32bb8200-8650-11ee-b7a7-416da07d1f1e.jpg "2D Structure of 13-Methyl-17-(4,5,6-trimethylheptan-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 | 98.02% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.83% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.24% | 90.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.36% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.53% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.06% | 96.61% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.85% | 96.61% |
| CHEMBL268 | P43235 | Cathepsin K | 87.65% | 96.85% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.57% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.81% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.53% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.69% | 85.31% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.37% | 98.35% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.05% | 95.88% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.96% | 92.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.89% | 96.43% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.34% | 95.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.76% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.70% | 82.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.90% | 96.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.78% | 97.50% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.25% | 92.78% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.80% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.77% | 93.18% |
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 | 74051400 |
| LOTUS | LTS0076635 |
| wikiData | Q104965345 |