Agn-PC-0nihb1
| Internal ID | d2eee85a-9f49-4b90-89e2-e905feb776eb |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | 1-(1-methylpyrrolidin-2-yl)-3-piperidin-2-ylpropan-2-one |
| SMILES (Canonical) | CN1CCCC1CC(=O)CC2CCCCN2 |
| SMILES (Isomeric) | CN1CCCC1CC(=O)CC2CCCCN2 |
| InChI | InChI=1S/C13H24N2O/c1-15-8-4-6-12(15)10-13(16)9-11-5-2-3-7-14-11/h11-12,14H,2-10H2,1H3 |
| InChI Key | FONWOVFPQFNSTJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H24N2O |
| Molecular Weight | 224.34 g/mol |
| Exact Mass | 224.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 0.90 |
| SCHEMBL24802671 |
| DTXSID60486785 |
| 2505-55-7 |
| 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 | 97.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.16% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.14% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.67% | 98.95% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 87.95% | 93.90% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.53% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.26% | 99.18% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.19% | 95.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.02% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.46% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.28% | 93.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.25% | 96.03% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.74% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.44% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.40% | 98.99% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.61% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.63% | 95.51% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.47% | 92.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.20% | 85.14% |
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.
To see more specific details click the taxa you are interested in.
| Withania somnifera |
| PubChem | 12306778 |
| LOTUS | LTS0269034 |
| wikiData | Q82328240 |