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: 244,2873

Pharmacophore Features:

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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer