2-hydroxychrysene

Synonyms: "2-gydroxychrysene", "2-chrysenol", "chrysen-2-ol", "2-hydroxy chrysene".

Source: 2-Hydroxychrysene is a hydroxylated metabolite of Chrysene.

Identifiers:

IUPAC Name: chrysen-2-ol
CAS Number: 65945-06-4
PubChem ID: 47782
InChiKey: RSBSTIBFPNNSTH-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=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

Fertuck KC, Kumar S, Sikka HC, Matthews JB, Zacharewski TR. 2001. Interaction of PAH-related compounds with the alpha and beta isoforms of the estrogen receptor. Toxicol Lett 121(3):167-177. DOI: 10.1016/S0378-4274(01)00344-7. URL: http://www.sciencedirect.com/science/article/pii/S0378427401003447?via%3Dihub.
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.