3-(9-Hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl)quinazolin-4-one
| Internal ID | 354da4a7-e47d-4b00-8e8b-cad6562e2734 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | 3-(9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl)quinazolin-4-one |
| SMILES (Canonical) | C1CC(C2CC(=O)CC(N2C1)N3C=NC4=CC=CC=C4C3=O)O |
| SMILES (Isomeric) | C1CC(C2CC(=O)CC(N2C1)N3C=NC4=CC=CC=C4C3=O)O |
| InChI | InChI=1S/C17H19N3O3/c21-11-8-14-15(22)6-3-7-19(14)16(9-11)20-10-18-13-5-2-1-4-12(13)17(20)23/h1-2,4-5,10,14-16,22H,3,6-9H2 |
| InChI Key | AYAIVALJKWTZJV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19N3O3 |
| Molecular Weight | 313.35 g/mol |
| Exact Mass | 313.14264148 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.38% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 93.56% | 98.46% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.95% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.16% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.76% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.72% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.55% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.19% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.25% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.47% | 92.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.41% | 98.33% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.15% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.80% | 90.08% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.70% | 95.83% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.54% | 100.00% |
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.
| Hydrangea chinensis |
| PubChem | 73197336 |
| LOTUS | LTS0219756 |
| wikiData | Q104920940 |