3-butan-2-yl-6-(4-hydroxybenzoyl)-5-methoxy-1H-pyrazin-2-one
| Internal ID | af1460d0-cf97-4b11-9900-8dddaed949b0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones |
| IUPAC Name | 3-butan-2-yl-6-(4-hydroxybenzoyl)-5-methoxy-1H-pyrazin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H18N2O4/c1-4-9(2)12-15(21)17-13(16(18-12)22-3)14(20)10-5-7-11(19)8-6-10/h5-9,19H,4H2,1-3H3,(H,17,21) |
| InChI Key | RNMOAWSVAHZYEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18N2O4 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 2.10 |
| 400602-62-2 |
| DTXSID70472250 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.57% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.16% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.14% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.62% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.44% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.30% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.09% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.09% | 93.99% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.05% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.74% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.24% | 95.56% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.84% | 93.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.36% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.10% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.15% | 93.67% |
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.
| There are no matching plants. |
| PubChem | 11771084 |
| LOTUS | LTS0125523 |
| wikiData | Q82301067 |