2-(8-oxononyl)-1H-quinolin-4-one
| Internal ID | 2e6d27e8-d14f-49b7-a92d-e02d3ec32d98 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-(8-oxononyl)-1H-quinolin-4-one |
| SMILES (Canonical) | CC(=O)CCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| SMILES (Isomeric) | CC(=O)CCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| InChI | InChI=1S/C18H23NO2/c1-14(20)9-5-3-2-4-6-10-15-13-18(21)16-11-7-8-12-17(16)19-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,19,21) |
| InChI Key | LSCSUEAXTUGLRK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H23NO2 |
| Molecular Weight | 285.40 g/mol |
| Exact Mass | 285.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 3.80 |
| ACon1_001244 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.02% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.51% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.77% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.59% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.20% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.52% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.90% | 99.23% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.53% | 97.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.87% | 87.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.18% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.95% | 94.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.36% | 94.62% |
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.
| Ruta montana |
| PubChem | 23757217 |
| LOTUS | LTS0096841 |
| wikiData | Q104888674 |