1-hydroxychrysene

Synonyms: "chrysen-1-ol", "1-chrysenol", "1,1-bis(4-hydroxyphenyl)cyclohexane".

Source: 1-Hydroxychrysene is a hydroxylated metabolite of chrysene.

Identifiers:

IUPAC Name: chrysen-1-ol
CAS Number: 63019-38-5
PubChem ID: 44284
InChiKey: ISHBWEUQYFEVES-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC=C4O

Structural Properties:

Molecular Formula: C18H12O
Molecular Weight: 244.293

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Endocrine Disruptor
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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.

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