10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
| Internal ID | 37b5fa78-a71b-411d-b2c5-91906da7d9ed |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C |
| InChI | InChI=1S/C27H40O2/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/h7,15,18,20-23H,6,8-14,16H2,1-5H3 |
| InChI Key | LPCCWNZUAOLAPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O2 |
| Molecular Weight | 396.60 g/mol |
| Exact Mass | 396.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ccee1a80-8588-11ee-8a3b-e1b137df25a1.jpg "2D Structure of 10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-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 | 98.06% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.14% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.43% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.81% | 85.30% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.64% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.56% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.95% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.86% | 98.10% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.39% | 94.78% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.13% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.04% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.95% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.79% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.54% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.12% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.91% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.50% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.74% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.54% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.98% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.79% | 96.61% |
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 | 15608831 |
| LOTUS | LTS0017688 |
| wikiData | Q105155032 |