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: 284,2635

Pharmacophore Features:

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

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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)

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Keywords


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