chalcone

Synonyms: "Chalcone", "trans-chalcone", "(E)-chalcone", "benzalacetophenone", "benzylideneacetophenone", "cinnamophenone", "2-benzalacetophenone", "2-benzylideneacetophenone", "1,3-diphenyl-2-propen-1-one", "1,3-diphenylpropenone", "(2E)-1,3-diphenylprop-2-en-1-one", "3-phenylacrylophenone", "1-benzoyl-2-phenylethene", "trans-benzalacetophenone", "beta-benzoylstyrene", "benzylidenecetophenone", "phenyl trans-styryl ketone", "1-benzoyl-1-phenylethene".

Source: Chalcone is a common simple scaffold found in many naturally occurring compounds.

Identifiers:

IUPAC Name: (E)-1,3-diphenylprop-2-en-1-one
CAS Number: 94-41-7
PubChem ID: 637760
InChiKey: DQFBYFPFKXHELB-VAWYXSNFSA-N
Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₅H₁₂O
Molecular Weight: 208.260

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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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

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.