17-(1,5-Dimethyl-hexyl)-dimethyl-dodecahydro-cyclopenta(A)phenanthrene-3,6-dione
| Internal ID | e7c238e3-95da-48ec-8dc6-3f2bf87468a6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23H,6-14,16H2,1-5H3 |
| InChI Key | GWOSBUGZGFVDDS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H42O2 |
| Molecular Weight | 398.60 g/mol |
| Exact Mass | 398.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 7.60 |
| 17-(1,5-DIMETHYL-HEXYL)-DIMETHYL-DODECAHYDRO-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.12% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.56% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.95% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.03% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.73% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.81% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.34% | 85.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.08% | 95.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.96% | 98.10% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.70% | 85.30% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.31% | 90.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.13% | 96.61% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.87% | 94.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.70% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.14% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.80% | 93.18% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.74% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.62% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.96% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.89% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.09% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.07% | 97.05% |
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 | 586536 |
| LOTUS | LTS0043968 |
| wikiData | Q105022606 |