General
Preferred name
Homogentisic Acid
Synonyms
Melanic acid ()
2,5-dihydroxyphenylacetic acid ()
Homogentisinic Acid ()
P&D ID
PD004502
CAS
451-13-8
71694-00-3
Tags
drug candidate
natural product
available
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
20045
DrugBank
DB08327
MedChem Express Bioactive Compound Library
HY-113283
TargetMol Bioactive Compound Library
TCS2070
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
168.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.72
TPSA
77.76
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Metabolic Enzyme/Protease
Target
antioxidant
Endogenous Metabolite
MOA
Antioxidant
Source data