2-Nonyl-4-quinolone
| Internal ID | 8cdba4d9-2d61-44d9-96c3-2b9a10714b65 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Hydroquinolines |
| IUPAC Name | 2-nonyl-3H-quinolin-4-one |
| SMILES (Canonical) | CCCCCCCCCC1=NC2=CC=CC=C2C(=O)C1 |
| SMILES (Isomeric) | CCCCCCCCCC1=NC2=CC=CC=C2C(=O)C1 |
| InChI | InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-13H,2-8,11,14H2,1H3 |
| InChI Key | GEKPVLASKAWWBZ-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C18H25NO |
| Molecular Weight | 271.40 g/mol |
| Exact Mass | 271.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 29.40 Ų |
| XlogP | 5.40 |
| SCHEMBL21065455 |
| 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 | 99.15% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 96.38% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.77% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.05% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.77% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.36% | 85.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.24% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.96% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 90.38% | 96.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.30% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.28% | 99.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.30% | 91.81% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.85% | 97.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.56% | 97.64% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.89% | 97.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.37% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
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.
| Haplophyllum acutifolium |
| Raulinoa echinata |
| Ruta graveolens |
| PubChem | 126421925 |
| LOTUS | LTS0082263 |
| wikiData | Q105007208 |