Daidzein

Synonyms: daidzein, "4',7-Dihydroxyisoflavone", "Daidzeol", "7,4'-Dihydroxyisoflavone", "7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one", "4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-", "7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", "7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one", "7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone", "4,7-Dihydroxyisoflavone", "4',7-Dihydroxy-iso-flavone", "d-(+)-alpha-methylbenzylamine"

Source: daidzein is an isoflavonoid phytoestrogenic compound found in soybeans, pea pods, clover, kudzu, and other legumes.

Identifiers:

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CAS Number: 486-66-8
PubChem ID: 5281708
InChiKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

Structural Properties:

Molecular Formula: C₁₅H₁₀O₄
Molecular Weight: 254,240

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

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