alizarin

Synonyms: "1,2-dihydroxyanthraquinone", "mordant Red 11", "turkey red", "alizarine red", "alizarin red"

Source: alizarin is a red pigment found in the roots of the madder (Rubia tinctorum) plant. It was used traditionally as a dye.

Identifiers:

IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione
CAS Number: 72-48-0
PubChem ID: 6293
InChiKey: RGCKGOZRHPZPFP-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)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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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
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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.

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