indole

Synonyms: "indole", "1H-indole", "indol", "2,3-benzopyrrole", "1-benzazole", "ketole", "1-azaindene", "benzopyrrole", "2,3-benzopyrole", "benzo[b]pyrrole", "1H-benzo[b]pyrrole".

Source: Indole is a metabolite synthesized and secreted by E. coli that regulates biofilm formation.

Identifiers:

IUPAC Name: 1H-indole
CAS Number: 120-72-9
PubChem ID: 798
InChiKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CN2

Structural Properties:

Molecular Formula: C₈H₇N
Molecular Weight: 117.151

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 0
Number of atoms different from hydrogen: 9

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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

Benisek M, Blaha L, Hilscherova K. 2008. Interference of PAHs and their N-heterocyclic analogs with signaling of retinoids in vitro. Toxicol in Vitro 22(8):1909-1917. DOI: 10.1016/j.tiv.2008.09.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233308002373?via%3Dihub.