11-Hydroxy-17-(2-hydroxy-4,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
| Internal ID | 26697025-afe7-4dcd-bbfa-c8ca0dee908d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids |
| IUPAC Name | 11-hydroxy-17-(2-hydroxy-4,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O3/c1-17(2)13-18(3)15-28(6,31)23-11-10-20-24-21(29)14-19-9-7-8-12-26(19,4)25(24)22(30)16-27(20,23)5/h8,12,15,17,19-20,22-25,30-31H,7,9-11,13-14,16H2,1-6H3 |
| InChI Key | JUCMOUIPZMOWPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-17-(2-hydroxy-4,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/7eca0c40-8568-11ee-a5c9-69e2db4fb088.jpg "2D Structure of 11-Hydroxy-17-(2-hydroxy-4,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.70% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.45% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.03% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.17% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.14% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.48% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.56% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.16% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.48% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.34% | 89.34% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.05% | 82.69% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.67% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.54% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.01% | 96.77% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.08% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.14% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.29% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.22% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.00% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.57% | 92.88% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.64% | 94.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.18% | 95.71% |
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 | 74000184 |
| LOTUS | LTS0199196 |
| wikiData | Q105135152 |