16-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
| Internal ID | 343b4c3a-b711-4e07-9a34-8a610f5218f6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 16-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| SMILES (Canonical) | CC(C)CCCC(C)C1C(CC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)O |
| SMILES (Isomeric) | CC(C)CCCC(C)C1C(CC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)O |
| InChI | InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)25-24(30)15-21-19-14-23(29)22-13-18(28)9-11-26(22,4)20(19)10-12-27(21,25)5/h16-17,19-22,24-25,30H,6-15H2,1-5H3 |
| InChI Key | VQABOPQARYUTHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 416.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 16-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bbed2b50-85a8-11ee-9d1b-6114d43b3e26.jpg "2D Structure of 16-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione")
| 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 | 97.50% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.81% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.77% | 95.58% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.36% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.27% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.74% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.81% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.76% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.27% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.21% | 98.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.04% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.94% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.54% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.37% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.33% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.08% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.36% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.12% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.97% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.93% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.55% | 85.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.53% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.39% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.31% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.48% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.06% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.37% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.00% | 90.08% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.13% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 73048314 |
| LOTUS | LTS0127110 |
| wikiData | Q105291135 |