2-hydroxyanthraquinone

Synonyms: "2-hydroxyanthraquinone", "2-hydroxyanthracene-9,10-dione", "2-hydroxy-9,10-anthraquinone", "beta-hydroxyanthraquinone", "2-hydroxy-9,10-anthracenedione", "2-hydroxyanthra-9,10-quinone", "hydroxy-9,10-anthracenedione", "2-hydroxy-anthraquinone".

Source: 2-hydroxyanthraquinone is the major anthraquinone metabolite.

Identifiers:

IUPAC Name: 2-hydroxyanthracene-9,10-dione
CAS Number: 605-32-3
PubChem ID: 11796
InChiKey: GCDBEYOJCZLKMC-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O

Structural Properties:

Molecular Formula: C₁₄H₈O₃
Molecular Weight: 224.215

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 17

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kurihara R, Shiraishi F, Tanaka N, Hashimoto S. 2005. Presence and estrogenicity of anthracene derivatives in coastal Japanese waters. Environ Toxicol Chem 24(8):1984-1993. DOI: 10.1897/04-310R.1. URL: http://onlinelibrary.wiley.com/doi/10.1897/04-310R.1/abstract.