N-[(1R)-1-[(3R,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide
| Internal ID | ff485d11-010f-4e6c-a894-bc892990abba |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Azasteroids and derivatives |
| IUPAC Name | N-[(1R)-1-[(3R,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H44N2O/c1-17(28(7)18(2)29)22-10-11-23-21-9-8-19-16-20(27(5)6)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24H,9-16H2,1-7H3/t17-,20-,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChI Key | DNVZSDMHLPWULM-KZEXSAFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H44N2O |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.345364031 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of N-[(1R)-1-[(3R,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/885fff60-85e0-11ee-be77-99328b1d6c4e.jpg "2D Structure of N-[(1R)-1-[(3R,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.03% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.45% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.87% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.85% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.27% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.79% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.75% | 93.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.35% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.04% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.95% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.56% | 98.10% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.39% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.36% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.36% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.34% | 90.08% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.94% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.68% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.64% | 85.31% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.45% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.42% | 97.14% |
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 | 162875330 |
| LOTUS | LTS0060157 |
| wikiData | Q104985783 |