1-[[(1R,9aS)-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]piperidine-2,6-dione
| Internal ID | a53d7bf8-04a7-4967-a573-575c72eb92f5 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | 1-[[(1R,9aS)-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]piperidine-2,6-dione |
| SMILES (Canonical) | C1CC[N+]2(CCCC(C2C1)CN3C(=O)CCCC3=O)[O-] |
| SMILES (Isomeric) | C1CC[N+]2(CCC[C@@H]([C@@H]2C1)CN3C(=O)CCCC3=O)[O-] |
| InChI | InChI=1S/C15H24N2O3/c18-14-7-3-8-15(19)16(14)11-12-5-4-10-17(20)9-2-1-6-13(12)17/h12-13H,1-11H2/t12-,13+,17?/m1/s1 |
| InChI Key | DHYFBYJAXSSJAF-LABGONDVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24N2O3 |
| Molecular Weight | 280.36 g/mol |
| Exact Mass | 280.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 1-[[(1R,9aS)-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]piperidine-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1-1r9as-5-oxido-23467899a-octahydro-1h-quinolizin-5-ium-1-ylmethylpiperidine-26-dione.jpg "2D Structure of 1-[[(1R,9aS)-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]piperidine-2,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.84% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.60% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.72% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.20% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.97% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.37% | 92.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.08% | 93.03% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.02% | 92.12% |
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.
| Sophora chrysophylla |
| Sophora tomentosa |
| PubChem | 101667015 |
| LOTUS | LTS0246262 |
| wikiData | Q104980980 |