4-Butylquinoline
| Internal ID | f5c40ead-2b5a-4d8e-b7d0-d4fecbbfcbe0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 4-butylquinoline |
| SMILES (Canonical) | CCCCC1=CC=NC2=CC=CC=C12 |
| SMILES (Isomeric) | CCCCC1=CC=NC2=CC=CC=C12 |
| InChI | InChI=1S/C13H15N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3 |
| InChI Key | MTSCTQMKKVEJHD-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H15N |
| Molecular Weight | 185.26 g/mol |
| Exact Mass | 185.120449483 g/mol |
| Topological Polar Surface Area (TPSA) | 12.90 Ų |
| XlogP | 4.10 |
| 74808-78-9 |
| SCHEMBL2237676 |
| DTXSID90562501 |
| AKOS006321344 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.94% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.15% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.02% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.90% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.29% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.96% | 92.51% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.81% | 97.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.05% | 93.31% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.96% | 96.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.36% | 98.59% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.27% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.22% | 85.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.35% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.19% | 95.56% |
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.
| Camellia sinensis |
| PubChem | 14641784 |
| LOTUS | LTS0159745 |
| wikiData | Q82446691 |