1H-Quinolin-4-one, 2-octyl-
| Internal ID | ae6d0303-2c5d-4a09-aca5-351cedd15ce3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-octyl-1H-quinolin-4-one |
| SMILES (Canonical) | CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| SMILES (Isomeric) | CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| InChI | InChI=1S/C17H23NO/c1-2-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3,(H,18,19) |
| InChI Key | YODYNZHLZUOZLK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.37 g/mol |
| Exact Mass | 257.177964357 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 5.40 |
| 2-n-octyl-4-hydroxyquinoline |
| CHEMBL4064420 |
| SCHEMBL16432811 |
| 1H-Quinolin-4-one, 2-octyl- |
| 2-Octyl-4(1H)-quinolinone # |
| YODYNZHLZUOZLK-UHFFFAOYSA-N |
| 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 | 98.91% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.45% | 92.08% |
| CHEMBL240 | Q12809 | HERG | 97.34% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.24% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.61% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.95% | 91.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.52% | 98.59% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.81% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.15% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.31% | 91.81% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 88.44% | 97.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.12% | 94.73% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.95% | 87.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.29% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.28% | 98.75% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 84.94% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.84% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.78% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.93% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.38% | 89.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.10% | 85.94% |
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 graveolens |
| PubChem | 594526 |
| LOTUS | LTS0162117 |
| wikiData | Q105351253 |