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: 290.313

Pharmacophore Features:

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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.