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: 240,2109

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

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.

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