N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide
| Internal ID | facfbc0f-58a3-4b1f-a358-ddb81de1a269 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Azasteroids and derivatives |
| IUPAC Name | N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H48N2O/c1-21(32(4)5)26-14-15-27-25-13-12-23-20-24(33(6)29(34)22-10-8-7-9-11-22)16-18-30(23,2)28(25)17-19-31(26,27)3/h7-11,21,23-28H,12-20H2,1-6H3/t21-,23-,24+,25-,26+,27-,28-,30-,31+/m0/s1 |
| InChI Key | SVKJOAMMICUBIY-XUOIALRLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H48N2O |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.376664159 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide](https://plantaedb.com/storage/docs/compounds/2023/11/5f83d180-8542-11ee-a2e5-b7f9d46601ff.jpg "2D Structure of N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.40% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.22% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.99% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 86.28% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.57% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.88% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.83% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.26% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.19% | 97.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.71% | 94.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.18% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.16% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.02% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.96% | 85.11% |
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.
| Pachysandra procumbens |
| PubChem | 14734739 |
| LOTUS | LTS0064632 |
| wikiData | Q105262131 |