3-hydroxychrysene

Synonyms: "3-hydroxychrysene", "chrysen-3-ol", "3-chrysenol".

Source: 3-hydroxychrysene is a metabolite of the polycyclic aromatic hydrobarbon (PAH) chrysene.

Identifiers:

IUPAC Name: chrysen-3-ol
CAS Number: 63019-39-6
PubChem ID: 44285
InChiKey: PULKTNQKGZNFNB-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C(C=C4)O

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
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.