General
Preferred name
PYROCATECHUIC ACID
Synonyms
3-Hydroxysalicylic acid ()
O-Pyrocatechuic acid ()
Catecholcarboxylic acid ()
NSC 27435 ()
2,3-DIHYDROXYBENZOIC ACID ()
Pyrocatechuic acid, O-Pyrocatechuic acid, 2-Pyrocatechuic acid, 3-Hydroxysalicylic acid, Hypogallic acid ()
2,3-Dihydroxy-Benzoic Acid ()
2,3-Dihydroxybenzoicacid ()
P&D ID
PD002117
CAS
303-38-8
27138-57-4
Tags
available
drug candidate
Drug Status
experimental
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 Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion.
PRICE 29
DESCRIPTION Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma, and has increased levels after aspirin ingestion. It has an agonist effect on GPR35 (IC50= 2.9 µM). Pyrocatechuic acid has been safely administered to humans as an iron-chelating agent. (Enamine Bioactive Compounds)
DESCRIPTION Pyrocatechuic acid (Catecholcarboxylic acid), a normal human benzoic acid metabolite found in plasma, has increased levels after aspirin ingestion. (TargetMol Bioactive Compound Library)
Compound Sets
7
Cayman Chemical Bioactives
35635
DrugBank
DB01672
Enamine Bioactive Compounds
EBC-48156
MedChem Express Bioactive Compound Library
HY-Y0202
Selleckchem Bioactive Compound Library
2-3-dihydroxybenzoic-acid
TargetMol Bioactive Compound Library
T4810
The Spectrum Collection
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
154.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.8
TPSA
77.76
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Anti-infection
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data