beta-naphthoflavone

Synonyms: "5,6-benzoflavone", "beta-NF", "3-Phenyl-1H-naphtho(2,1-b)pyran-1-one", "b-naphthoflavone", "3-phenyl-1H-benzo[f]chromen-1-one", "3-phenylbenzo[f]chromen-1-one", "3-phenyl-1H-naphtho[2,1-b]pyran-1-one", "3-phenyl-benzo[f]chromen-1-one".

Source: Beta-naphthoflavone is a reference chemical known to be an effective in- ducer of CYP1A. It differs from naturally occurring flavones in having an additional condensed ring and also in lacking either hydroxy or methoxy substit uents.

Identifiers:

IUPAC Name: 3-phenylbenzo[f]chromen-1-one
CAS Number: 6051-87-2
PubChem ID: 2361
InChiKey: OUGIDAPQYNCXRA-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43

Structural Properties:

Molecular Formula: C19H12O2
Molecular Weight: 272.303

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Evanson M, Van Der Kraak GJ. 2001. Stimulatory effects of selected PAHs on testosterone production in goldfish and rainbow trout and possible mechanisms of action. Comp Biochem Physiol C Toxicol Pharmacol 130(2):249-258. DOI: 10.1016/S1532-0456(01)00246-0. URL: https://www.sciencedirect.com/science/article/pii/S1532045601002460.

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