N-[17-[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]-2-methylbut-2-enamide
| Internal ID | cfc35079-5abd-44e8-ae95-1747122318bf |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Azasteroids and derivatives |
| IUPAC Name | N-[17-[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]-2-methylbut-2-enamide |
| SMILES (Canonical) | CC=C(C)C(=O)NC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)NC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C |
| InChI | InChI=1S/C28H48N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,19-25H,9-17H2,1-7H3,(H,29,31) |
| InChI Key | DZYNUQJIWZWXRL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48N2O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.376664159 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of N-[17-[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]-2-methylbut-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/af2efb40-85cb-11ee-b97b-5767d30f20c0.jpg "2D Structure of N-[17-[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]-2-methylbut-2-enamide")
| 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 | 97.95% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 95.48% | 95.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.64% | 96.43% |
| CHEMBL204 | P00734 | Thrombin | 93.32% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.64% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.21% | 90.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.77% | 98.10% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.09% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.01% | 96.38% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 89.52% | 91.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.52% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.44% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.40% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.34% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.21% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.02% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.87% | 85.31% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.67% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.54% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.44% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.84% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.09% | 97.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.90% | 90.71% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.26% | 99.35% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.21% | 97.50% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.14% | 85.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.93% | 97.25% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.55% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 82.53% | 96.85% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.39% | 94.45% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.64% | 95.36% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.55% | 96.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.41% | 91.03% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.40% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.98% | 96.95% |
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.
| Sarcococca ruscifolia |
| PubChem | 78092329 |
| LOTUS | LTS0220394 |
| wikiData | Q104992111 |