flavone

Synonyms: "2-phenylchromone", "2-phenyl-4H-chromen-4-one", "2-phenyl-4-chromone", "2-phenyl-4-benzopyron", "asmacoril", "2-phenyl-4H-1-benzopyran-4-one", "Chromocor", "Cromaril", "2-phenylchromen-4-one", "Phenylchromone", "2-Phenyl-chromen-4-one", "2-Phenyl-gamma-benzopyrone", "2-Phenylbenzopyran-4-one", "Cromarile", "2-Phenyl-4H-benzopyran-4-one", "Flavon", "2-Phenylchrome", "2-phenyl-4H-chromen-4-on".

Source: Flavones are a class of flavonoids with a 2-phenylchromen-4-one skeleton and present in many fruits and vegetables.

Identifiers:

IUPAC Name: 2-phenylchromen-4-one
CAS Number: 525-82-6
PubChem ID: 10680
InChiKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Structural Properties:

Molecular Formula: C₁₅H₁₀O₂
Molecular Weight: 222.243

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17

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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.