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CAS 1313738-76-9

:

2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxy-4H-1-benzopyran-4-one

Description:
2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxy-4H-1-benzopyran-4-one, also known by its CAS number 1313738-76-9, is a chemical compound that belongs to the class of flavonoids, specifically a type of flavonol. This compound features a benzopyran structure, which is characterized by a fused benzene and pyran ring. Its molecular structure includes multiple hydroxyl groups, which contribute to its potential antioxidant properties. The presence of the ethyl group enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. This compound may exhibit various pharmacological effects, including anti-inflammatory and anticancer activities, due to its ability to interact with cellular signaling pathways. Additionally, the hydroxyl groups can facilitate hydrogen bonding, enhancing its reactivity and interaction with other biomolecules. Overall, 2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxy-4H-1-benzopyran-4-one is of interest in medicinal chemistry and natural product research for its potential therapeutic applications.
Formula:C17H14O5
InChI:InChI=1S/C17H14O5/c1-2-9-3-6-14-11(7-9)15(20)16(21)17(22-14)10-4-5-12(18)13(19)8-10/h3-8,18-19,21H,2H2,1H3
InChI key:InChIKey=SQVMXCHFANPQEF-UHFFFAOYSA-N
SMILES:OC1=C(OC=2C(C1=O)=CC(CC)=CC2)C3=CC(O)=C(O)C=C3
Synonyms:
  • 2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxychromen-4-one
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-ethyl-3-hydroxy-
  • 2-(3,4-Dihydroxyphenyl)-6-ethyl-3-hydroxy-4H-chroMen-4-one
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