benzo[c]phenanthren-2-ol

Synonyms: "benzo(c)phenanthren-2-ol", "2-hydroxybenzo[c]phenanthrene", "2-benzo[c]phenanthrenol", "benzo(c)phenanthrene-2-ol".

Source: benzo[c]phenanthren-2-ol is a metabolite of benzo[c]phenanthrene.

Identifiers:

IUPAC Name: benzo[c]phenanthren-2-ol
CAS Number: 22717-94-8
PubChem ID: 97039
InChiKey: WCFYKAAKPJSBFZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC(=C4)O

Structural Properties:

Molecular Formula: C18H12O
Molecular Weight: 244.293

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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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

Fertuck KC, Kumar S, Sikka HC, Matthews JB, Zacharewski TR. 2001. Interaction of PAH-related compounds with the alpha and beta isoforms of the estrogen receptor. Toxicol Lett 121(3):167-177. DOI: 10.1016/S0378-4274(01)00344-7. URL: http://www.sciencedirect.com/science/article/pii/S0378427401003447?via%3Dihub.