(7R,8R,10R,13S,17S)-7-hydroxy-17-(3-hydroxy-2-oxopropyl)-4,4,8,10,13-pentamethyl-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthrene-3,15-dione
| Internal ID | 3d339079-2d6d-472a-a56f-ca2a9441a272 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Androstane steroids > Androgens and derivatives |
| IUPAC Name | (7R,8R,10R,13S,17S)-7-hydroxy-17-(3-hydroxy-2-oxopropyl)-4,4,8,10,13-pentamethyl-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthrene-3,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O5/c1-22(2)18-12-20(30)25(5)17(24(18,4)9-7-19(22)29)6-8-23(3)14(10-15(27)13-26)11-16(28)21(23)25/h7,9,14,17-18,20-21,26,30H,6,8,10-13H2,1-5H3/t14-,17?,18?,20-,21?,23+,24-,25+/m1/s1 |
| InChI Key | HGMJKTQTXZQERC-CVLJXKBESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H36O5 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (7R,8R,10R,13S,17S)-7-hydroxy-17-(3-hydroxy-2-oxopropyl)-4,4,8,10,13-pentamethyl-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthrene-3,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d7fdaa50-8550-11ee-9023-51216364f63f.jpg "2D Structure of (7R,8R,10R,13S,17S)-7-hydroxy-17-(3-hydroxy-2-oxopropyl)-4,4,8,10,13-pentamethyl-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthrene-3,15-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 | 94.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.53% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.17% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.68% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.67% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.29% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.70% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.77% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.79% | 90.08% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.27% | 93.04% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.77% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.63% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.19% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.06% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.23% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.04% | 89.00% |
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 | 163048652 |
| LOTUS | LTS0029016 |
| wikiData | Q105027845 |