General
Preferred name
PD021010
Synonyms
4-hydroxy-2-nonenal ()
4-hydroxynonenal ()
4-HNE ()
4-HYDROXYNON-2-ENAL ()
4-hydroxy Nonenal-d3 ()
4-hydroxy Nonenal ()
P&D ID
PD021010
CAS
75899-68-2
128946-65-6
29343-52-0
148706-06-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
4-Hydroxynonenal is an α,β-unsaturated hydroxyalkenal that is produced by lipid peroxidation in cells, particularly by cells that are under stress.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
50
Molecular Weight
156.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
1.68
TPSA
37.3
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Aldehyde dehydrogenase (ALDH)
Endogenous Metabolite
Source data
