[2,7,15-triacetyloxy-3-hydroxy-10-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate
| Internal ID | 85fb0fe4-bad1-425d-9ecb-964cdf00e549 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | [2,7,15-triacetyloxy-3-hydroxy-10-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O9/c1-19(2)10-9-11-20(3)27-16-30(43-23(6)38)33-32-26(12-13-35(27,33)18-41-21(4)36)34(8)17-31(44-24(7)39)28(40)14-25(34)15-29(32)42-22(5)37/h15,19-20,26-33,40H,9-14,16-18H2,1-8H3 |
| InChI Key | UMYUPHFXQKVRIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H54O9 |
| Molecular Weight | 618.80 g/mol |
| Exact Mass | 618.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of [2,7,15-triacetyloxy-3-hydroxy-10-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/7cce7980-860e-11ee-b8ce-4bac560c8e6b.jpg "2D Structure of [2,7,15-triacetyloxy-3-hydroxy-10-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate")
| 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 | 99.54% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.22% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.66% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.81% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.64% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.54% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.08% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.12% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.10% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.72% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.01% | 94.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.72% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.64% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.28% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.73% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 85.14% | 97.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.99% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.66% | 89.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.24% | 98.10% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.86% | 94.08% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.23% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.55% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.37% | 94.33% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.21% | 98.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73819035 |
| LOTUS | LTS0084153 |
| wikiData | Q105275836 |