10-hydroxybenzo[a]pyrene

Synonyms: "10-hydroxybenzo[a]pyrene", "10-hydroxybenzo(a)pyrene","benzo(a)pyren-10-ol", "benzo[a]pyren-10-ol","BRN 2464216", "10-hydroxybenz[a]pyrene", "10-hydroxy benzo[a]pyrene".

Source: 10-hydroxybenzo[a]pyrene is a metabolite of benzo(a)pyrene.

Identifiers:

IUPAC Name: benzo[a]pyren-10-ol
CAS Number: 56892-31-0
PubChem ID: 42028
InChiKey: ANHMWNGBSJFXSA-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5O

Structural Properties:

Molecular Formula: C₂₀H₁₂O
Molecular Weight: 268.315

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 21

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3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

van Lipzig MM, Vermeulen NP, Gusinu R, Legler J, Frank H, Seidel A, Meerman JH. 2005. Formation of estrogenic metabolites of benzo[a]pyrene and chrysene by cytochrome P450 activity and their combined and supra-maximal estrogenic activity. Environ Toxicol Pharmacol 19(1):41-55. DOI: 10.1016/j.etap.2004.03.010. URL: https://www.sciencedirect.com/science/article/pii/S1382668904001279.