4-hydroxychalcone

Synonyms: "4-hydroxychalcone", "4-hydroxy chalcone", "(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one","4-hydroxy-chalcone", "3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one", "2-(4-Hydroxybenzylidene)acetophenone", "(E)-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-one", "3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one".

Source: 4-Hydroxychalcone is found in herbs and spices.

Identifiers:

IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CAS Number: 20426-12-4
PubChem ID: 5282361
InChiKey: PWWCDTYUYPOAIU-DHZHZOJOSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₅H₁₂O₂
Molecular Weight: 224.259

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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TEDX List of Potential Endocrine Disruptors

Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.