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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3D structure (.sdf)
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3D structure (.pdb)
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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