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: 274,2687

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

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Keywords


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