4-Methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
| Internal ID | 85d50ef0-29fd-4df1-a4e0-60e8af58c7c5 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=CC=CC=C2N(C1=O)C)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=CC=CC=C2N(C1=O)C)OC)C |
| InChI | InChI=1S/C16H19NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-9H,10H2,1-4H3 |
| InChI Key | OGNDPMMWXRHXND-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.33 g/mol |
| Exact Mass | 257.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.33% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.83% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.92% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.06% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.26% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.36% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.32% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.83% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.74% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.28% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
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.
| Citrus maxima |
| Conchocarpus guyanensis |
| Drummondita calida |
| Orixa japonica |
| Zanthoxylum beecheyanum |
| PubChem | 15460082 |
| LOTUS | LTS0048124 |
| wikiData | Q104193346 |