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: 254.238

Pharmacophore Features:

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

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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.