3-Hydroxy-4-(2-hydroxy-4,5-dimethoxyanilino)-4-oxobutanoic acid
| Internal ID | 34482578-76ca-495b-8324-ec003c266f7a |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 3-hydroxy-4-(2-hydroxy-4,5-dimethoxyanilino)-4-oxobutanoic acid |
| SMILES (Canonical) | COC1=C(C=C(C(=C1)NC(=O)C(CC(=O)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1)NC(=O)C(CC(=O)O)O)O)OC |
| InChI | InChI=1S/C12H15NO7/c1-19-9-3-6(7(14)4-10(9)20-2)13-12(18)8(15)5-11(16)17/h3-4,8,14-15H,5H2,1-2H3,(H,13,18)(H,16,17) |
| InChI Key | IBOBTFXQPXYKOL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H15NO7 |
| Molecular Weight | 285.25 g/mol |
| Exact Mass | 285.08485182 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | -0.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.20% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.54% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.73% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.53% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.10% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.07% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.28% | 95.50% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.04% | 97.06% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.68% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.66% | 99.15% |
| CHEMBL3308 | P55212 | Caspase-6 | 82.35% | 97.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.28% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.10% | 91.07% |
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.
| Cotinus coggygria |
| Justicia leonardii |
| PubChem | 85256988 |
| LOTUS | LTS0080948 |
| wikiData | Q105176082 |