(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
| Internal ID | f0fc52c2-daec-4720-9673-e07f3256ef35 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyridines > Imidazopyridinones |
| IUPAC Name | (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione |
| SMILES (Canonical) | CC(C)CC1C(=O)NC2N1C(=O)CCC2 |
| SMILES (Isomeric) | CC(C)C[C@@H]1C(=O)N[C@@H]2N1C(=O)CCC2 |
| InChI | InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)12-9-4-3-5-10(14)13(8)9/h7-9H,3-6H2,1-2H3,(H,12,15)/t8-,9-/m1/s1 |
| InChI Key | NKUPVYWGJGYSJH-RKDXNWHRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H18N2O2 |
| Molecular Weight | 210.27 g/mol |
| Exact Mass | 210.136827821 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3r8ar-3-2-methylpropyl-136788a-hexahydroimidazo12-apyridine-25-dione.jpg "2D Structure of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.98% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.31% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.90% | 88.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.19% | 94.66% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.60% | 95.51% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.64% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.44% | 95.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.31% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.19% | 93.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.10% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.70% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.21% | 94.45% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.80% | 96.31% |
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.
| Delphinium delavayi |
| Delphinium majus |
| Delphinium umbrosum |
| Sparganium eurycarpum |
| PubChem | 162987928 |
| LOTUS | LTS0145102 |
| wikiData | Q105385129 |