17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione
| Internal ID | 220e5337-da82-44f2-84ed-409658faf79c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h10,13,17-18,20-22,24,30H,6-9,11-12,14-16H2,1-5H3 |
| InChI Key | KIWJAFCOUILVDK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H42O3 |
| Molecular Weight | 414.60 g/mol |
| Exact Mass | 414.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/06c93fc0-865a-11ee-aa49-9f515fa96c02.jpg "2D Structure of 17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.36% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.17% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.56% | 82.69% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.47% | 93.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.19% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.16% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.57% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 90.32% | 97.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.93% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.63% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.00% | 85.31% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.85% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.54% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.30% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.78% | 95.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.44% | 98.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.90% | 90.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.69% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.44% | 97.05% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.27% | 95.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.62% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.21% | 97.29% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.13% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.47% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.40% | 96.77% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.34% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.26% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.08% | 85.94% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.52% | 92.97% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 76091074 |
| LOTUS | LTS0180286 |
| wikiData | Q105141702 |