chrysophanol

Synonyms: "chrysophanic acid", "1,8-dihydroxy-3-methylanthraquinone", "turkey rhubarb", "3-methylchrysazin", "chrysophanein", "crysophanic acid", "C.I. Natural Yellow 23", "4,5-dihydroxy-2-methylanthraquinone"

Source: chrysophanol is an antimicrobial agent extracted from plants of Rheum genus.

Identifiers:

IUPAC Name: 1,8-dihydroxy-3-methylanthracene-9,10-dione
CAS Number: 481-74-3
PubChem ID: 10208
InChiKey: LQGUBLBATBMXHT-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

Structural Properties:

Molecular Formula: C15H10O4
Molecular Weight: 254,2375

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

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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


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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