2,6-dihydroxyanthraquinone

Synonyms: "anthraflavic acid", "anthraflavin", "2,6-dihydroxyanthracene-9,10-dione", "2,6-dihydroxy-anthraquinone"

Source: 2,6-dihydroxyanthraquinone is a common dyestuff intermediate which is commercially available.

Identifiers:

IUPAC Name: 2,6-dihydroxyanthracene-9,10-dione
CAS Number: 84-60-6
PubChem ID: 6776
InChiKey: APAJFZPFBHMFQR-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O

Structural Properties:

Molecular Formula: C₁₄H₈O₄
Molecular Weight: 240.211

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

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2D structure (.sdf)
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

Matsuda H, Shimoda H, Morikawa T, Yoshikawa M. 2001. Phytoestrogens from the roots of Polygonum cuspidatum (Polygonaceae): structure-requirement of hydroxyanthraquinones for estrogenic activity. Bioorganic & Medicinal Chemistry Letters 11(14):1839-1842.