3-Acetyl-4-hydroxy-2H-chromen-2-one

CAS: 2555-37-5

Ref. 3D-FA121787

Product Information

• Name: 3-Acetyl-4-hydroxy-2H-chromen-2-one
• Synonyms: 2H-1-benzopyran-2-one, 3-acetyl-4-hydroxy-
• Brand: Biosynth
• Description: 3-Acetyl-4-hydroxy-2H-chromen-2-one is a potent inhibitor of human lipoxygenase and soybean lipoxygenase. This compound has been shown to inhibit the growth of cancer cells in culture, with IC50 values ranging from 1.5 to 8.0 μM. 3-Acetyl-4-hydroxy-2H-chromen-2-one inhibits the activation of hydrogen peroxide by inhibiting the activity of enzymes such as amine oxidases and coumarin hydroxylases that are involved in the production of hydrogen peroxide. 3-(3'-acetylphenyl)acrylic acid (3APAA), which is structurally related to 3-(3'-acetylphenethyl)acrylic acid, was identified as an additional metabolite for this compound. The molecular docking analysis of these two compounds revealed that they have similar binding modes with regard to their binding affinity for the enzyme active

Chemical properties

• Molecular weight: 204.18 g/mol
• Formula: C₁₁H₈O₄
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,13H,1H3
• InChI key: InChIKey=UTZHUXAPJIBIBQ-UHFFFAOYSA-N
• SMILES: CC(=O)c1c(O)c2ccccc2oc1=O