Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A9NE
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| Former ID |
DNC011381
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| Drug Name |
2-(3,4-Dihydroxy-benzyl)-7-hydroxy-chromen-4-one
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| Synonyms |
CHEMBL56890; 2-(3,4-Dihydroxy-benzyl)-7-hydroxy-chromen-4-one; ZINC13797584; BDBM50077314
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H12O5
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| Canonical SMILES |
C1=CC(=C(C=C1CC2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O
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| InChI |
1S/C16H12O5/c17-10-2-3-12-14(19)8-11(21-16(12)7-10)5-9-1-4-13(18)15(20)6-9/h1-4,6-8,17-18,20H,5H2
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| InChIKey |
AERADEZJMNEWMZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [1] |
| BioCyc | Methylglyoxal degradation III | |||
| Acetone degradation I (to methylglyoxal) | ||||
| KEGG Pathway | Pentose and glucuronate interconversions | |||
| Fructose and mannose metabolism | ||||
| Galactose metabolism | ||||
| Glycerolipid metabolism | ||||
| Metabolic pathways | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| Pathwhiz Pathway | Fructose and Mannose Degradation | |||
| Pyruvate Metabolism | ||||
| Pterine Biosynthesis | ||||
| Glycerolipid Metabolism | ||||
| Galactose Metabolism | ||||
| WikiPathways | Metapathway biotransformation | |||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 1-Benzopyran-4-one antioxidants as aldose reductase inhibitors. J Med Chem. 1999 Jun 3;42(11):1881-93. | |||
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