4,6-Dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid
| Internal ID | 46d1ed20-6ba5-49bc-bb0b-b971e4c2de96 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > M-methoxybenzoic acids and derivatives |
| IUPAC Name | 4,6-dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid |
| SMILES (Canonical) | CC(=O)C(C1=C(C(=CC(=C1OC)O)O)C(=O)O)O |
| SMILES (Isomeric) | CC(=O)C(C1=C(C(=CC(=C1OC)O)O)C(=O)O)O |
| InChI | InChI=1S/C11H12O7/c1-4(12)9(15)8-7(11(16)17)5(13)3-6(14)10(8)18-2/h3,9,13-15H,1-2H3,(H,16,17) |
| InChI Key | NLIPVYOXJIPBAE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H12O7 |
| Molecular Weight | 256.21 g/mol |
| Exact Mass | 256.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.30 |
| DTXSID80702691 |
| 4,6-dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid |
| 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 | 95.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.11% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.47% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.37% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.10% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.41% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.93% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.98% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.72% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.55% | 91.19% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.13% | 94.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.94% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.39% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 53440624 |
| LOTUS | LTS0207122 |
| wikiData | Q82634674 |