General
Preferred name
PD098600
Synonyms
3-Hydroxyphenylacetic acid ()
3-Hydroxyphenylacetate ()
3-Hydroxyphenylacetic Acid ()
P&D ID
PD098600
CAS
621-37-4
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 3-Hydroxyphenylacetic acid is an endogenous metabolite.
PRICE 29
DESCRIPTION 3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism. 3-Hydroxyphenylacetic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. (TargetMol Bioactive Compound Library)
Compound Sets
3
Cayman Chemical Bioactives
36436
MedChem Express Bioactive Compound Library
HY-W001083
TargetMol Bioactive Compound Library
T4829
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
152.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.02
TPSA
57.53
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.66
QED
0.66
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Aldehyde dehydrogenase (ALDH)
Apoptosis
Ferroptosis
Glutathione Peroxidase
Keap1-Nrf2
Reactive Oxygen Species (ROS)
Pathway
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Source data