phloretin

Synonyms: "dihydronaringenin", "phloretol", "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one", "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone", "beta-(p-hydroxyphenyl)phloropropiophenone", "2',4',6'-trihydroxy-3-(4-Hydroxyphenyl)propiophenon

Source: phloretin is a dihydrochalcone flavonoid that displays a potent antioxidant activity in peroxynitrite scavenging and the inhibition of lipid peroxidation.

Identifiers:

IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CAS Number: 60-82-2
PubChem ID: 4788
InChiKey: VGEREEWJJVICBM-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O

Structural Properties:

Molecular Formula: C₁₅H₁₄O₅
Molecular Weight: 274.269

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 5
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kuiper GGJM, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg P, Gustafsson JA. 1998. Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 139(10):4252-4263.