6-hydroxychrysene

Synonyms: "6-chrysenol", "chrysen-6-ol", "6-hydroxy-chrysene"

Source: 6-hydroxychrysene is a metabolite of PAHs (polycyclic aromatic hydrocarbons).

Identifiers:

IUPAC Name: chrysen-6-ol
CAS Number: 37515-51-8
PubChem ID: 37766
InChiKey: VXFDOYXVHRYCGS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)O

Structural Properties:

Molecular Formula: C₁₈H₁₂O
Molecular Weight: 244.287

Pharmacophore Features:

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

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

Jin L, Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1997. Several synthetic chemicals inhibit progesterone receptor-mediated transactivation in yeast. Biochemical & Biophysical Research Communications 233(1):139-146.

Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1996. The anti-estrogenic activity of selected polynuclear aromatic hydrocarbons in yeast expressing human estrogen receptor. Biochem Biophys Res Commun 229(1):102-108, DOI: 10.1006/bbrc.1996.1764.