(9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
| Internal ID | 384c2c90-d31b-408d-86f2-56a7e0a48e11 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23+,25-,26-,27+/m0/s1 |
| InChI Key | AJRNPFZYKICTEM-JARKQWKBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38O |
| Molecular Weight | 378.60 g/mol |
| Exact Mass | 378.292265831 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/b60fca40-85ee-11ee-b646-8b5a1c6f7c19.jpg "2D Structure of (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.93% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.72% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 93.67% | 96.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.79% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.39% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.03% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.25% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.01% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.41% | 85.11% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.75% | 95.71% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.63% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.62% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.19% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.78% | 82.69% |
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 | 163040639 |
| LOTUS | LTS0081611 |
| wikiData | Q104913347 |