N-(17-acetyl-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-methylacetamide
| Internal ID | 648eca3c-2473-4e79-94fa-3284c751cfe5 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids |
| IUPAC Name | N-(17-acetyl-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-methylacetamide |
| SMILES (Canonical) | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C(=O)C)C)C |
| SMILES (Isomeric) | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C(=O)C)C)C |
| InChI | InChI=1S/C24H39NO2/c1-15(26)20-8-9-21-19-7-6-17-14-18(25(5)16(2)27)10-12-23(17,3)22(19)11-13-24(20,21)4/h17-22H,6-14H2,1-5H3 |
| InChI Key | KGECUYUTWWUGRM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39NO2 |
| Molecular Weight | 373.60 g/mol |
| Exact Mass | 373.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 37.40 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of N-(17-acetyl-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-methylacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/e37b0660-8613-11ee-b8a6-e1f206c733e9.jpg "2D Structure of N-(17-acetyl-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-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 | 97.49% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.70% | 96.38% |
| CHEMBL204 | P00734 | Thrombin | 94.14% | 96.01% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.21% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.48% | 98.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.57% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.47% | 91.19% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.42% | 96.43% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.98% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.84% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.23% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.90% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.53% | 91.03% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.44% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.39% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.77% | 93.04% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.38% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.45% | 90.17% |
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.
| Holarrhena pubescens |
| PubChem | 163030427 |
| LOTUS | LTS0200520 |
| wikiData | Q105140711 |