hesperetin

Synonyms: "hesperitin", "hesperin", "3',5,7-trihydroxy-4'-methoxyflavanone", "cyanidanon 4'-methyl ether 1626", "(-)-hesperetin"

Source: hesperetin is a flavonoid found in citrus fruits.

Identifiers:

IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CAS Number: 520-33-2
PubChem ID: 72281
InChiKey: AIONOLUJZLIMTK-AWEZNQCLSA-N
Canonical SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O

Structural Properties:

Molecular Formula: C₁₆H₁₄O₆
Molecular Weight: 302.279

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 22

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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

Rosenberg RS, Grass L, Jenkins DJ, Kendall CWC, Diamandis EP. 1998. Modulation of androgen and progesterone receptors by phytochemicals in breast cancer cell lines. Biochemical & Biophysical Research Communications 248(3):935-939.