1-hydroxypyrene

Synonyms: "1-pyrenol", "3-hydroxypyrene", "pyren-1-ol", "pyrenol", "3-pyrenol"

Source: 1-hydroxypyrene is used as a biological index for the assessment of exposure to polycyclic aromatic hydrocarbons (PAHs).

Identifiers:

IUPAC Name: pyren-1-ol
CAS Number: 5315-79-7
PubChem ID: 21387
InChiKey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O

Structural Properties:

Molecular Formula: C₁₆H₁₀O
Molecular Weight: 218.250

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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

Jin L, Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1997. Several synthetic chemicals inhibit progesterone receptor-mediated transactivation in yeast. Biochemical & Biophysical Research Communications 233(1):139-146.