4-methoxy-3-(3-methylbuta-1,3-dienyl)-1H-quinolin-2-one
| Internal ID | 6939ee30-839d-4772-9fd9-f297c6541f9a |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 4-methoxy-3-(3-methylbuta-1,3-dienyl)-1H-quinolin-2-one |
| SMILES (Canonical) | CC(=C)C=CC1=C(C2=CC=CC=C2NC1=O)OC |
| SMILES (Isomeric) | CC(=C)C=CC1=C(C2=CC=CC=C2NC1=O)OC |
| InChI | InChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17) |
| InChI Key | KOFVUVJGUULEKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.28 g/mol |
| Exact Mass | 241.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.28% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.23% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.48% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.56% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.74% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.95% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.28% | 98.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.59% | 94.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.77% | 89.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 82.52% | 81.14% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 82.44% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.07% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.35% | 96.09% |
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.
| Zanthoxylum simulans |
| PubChem | 162979372 |
| LOTUS | LTS0148271 |
| wikiData | Q105143791 |