6-hydroxyquinoline

Synonyms: "6-hydroxyquinoline", "quinolin-6-ol", "6-quinolinol", "1H-1,6-epoxyquinoline", "6-chinolinol", "quinoline-6-ol", "6-quinolinoloxine", "6-hydroxy-chinolin", "6-hydroxy-quinoline".

Source: 6-hydroxyquinoline is a metabolite of quinoline.

Identifiers:

IUPAC Name: quinolin-6-ol
CAS Number: 580-16-5
PubChem ID: 11374
InChiKey: OVYWMEWYEJLIER-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=CC(=C2)O)N=C1

Structural Properties:

Molecular Formula: C₉H₇NO
Molecular Weight: 145.161

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 11

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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

Schultz TW and Sinks GD. 2002. Xenoestrogenic gene expression: structural features of active polycyclic aromatic hydrocarbons. Environ Toxicol Chem 21(4): 783-786. DOI: 10.1002/etc.5620210414. URL: http://onlinelibrary.wiley.com/doi/10.1002/etc.5620210414/abstract.