benzanthrone

Synonyms: "benzanthrenone", "7H-benz[de]anthracen-7-one", "MS-benzanthrone", "naphthanthrone", "mesobenzanthrone", "1,9-benzanthrone"

Source: enzanthrone is used industrially as a dye intermediate and is a product of fossil fuel combustion.

Identifiers:

IUPAC Name: benzo[a]phenalen-7-one
CAS Number: 82-05-3
PubChem ID: 6697
InChiKey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O

Structural Properties:

Molecular Formula: C₁₇H₁₀O
Molecular Weight: 230.261

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 18

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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

Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231.