aurin

Synonyms: "rosolic acid", "corallin", "p-rosolic acid", "aurine", "4,4'-dihydroxyfuchsone"

Source: aurin is used as indicator in waste water analysis.

Identifiers:

IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
CAS Number: 603-45-2
PubChem ID: 5100
InChiKey: FYEHYMARPSSOBO-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C19H14O3
Molecular Weight: 290,3127

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 22

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3D structure (.sdf)
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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

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