General
Preferred name
Pyren-1-ol
Synonyms
1-Pyrenol ()
1-Hydroxypyrene ()
P&D ID
PD158310
CAS
5315-79-7
63021-84-1
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes. 1-Hydroxypyrene is the orally active agonist for aryl hydrocarbon receptor (AhR) and can lead to renal fibrosis[1][2].
PRICE 29
DESCRIPTION 1-Hydroxypyrene (1-Pyrenol), a biomarker of exposure to polycyclic aromatic hydrocarbons, is analyzed in urine samples. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-W014075
Selleckchem Bioactive Compound Library
1-hydroxypyrene
TargetMol Bioactive Compound Library
T19082
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
218.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
4
cLogP
4.29
TPSA
20.23
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Human Endogenous Metabolite
Aryl hydrocarbon receptor
Collagen
Cytochrome P450
Endogenous Metabolite
Pathway
Metabolism
cytoskeleton
Immunology/Inflammation
Metabolic Enzyme/Protease
Source data