glycitein

Synonyms: "7,4'-dihydroxy-6-methoxyisoflavone", "4',7-dihydroxy-6-methoxyisoflavone", "7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one", "7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one"

Source: glycitein is a soy isoflavone. It is a minor component in most soy products.

Identifiers:

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CAS Number: 40957-83-3
PubChem ID: 5317750
InChiKey: DXYUAIFZCFRPTH-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O

Structural Properties:

Molecular Formula: C₁₆H₁₂O₅
Molecular Weight: 284.264

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 21

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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

Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G. 2004. Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Analytical & Bioanalytical Chemistry 378(3)