General
Preferred name
PROTOCATECHUIC ACID
Synonyms
3,4-Dihydroxybenzoic Acid ()
Protocatechuate ()
3, 4-Dihydroxybenzoic acid ()
3,4-Dihydroxybenzoic acid, Protocatechuate ()
Protacatechuic Acid ()
Protocatechuic Acid ()
P&D ID
PD006619
CAS
99-50-3
1225528-47-1
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
7
Cayman Chemical Bioactives
14916
DrugBank
DB03946
EU-OPENSCREEN Bioactive Compound Library
EOS100170
MedChem Express Bioactive Compound Library
HY-N0294
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
protocatechuic-acid
TargetMol Bioactive Compound Library
T0562
External IDs
32
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
free radical
Endogenous Metabolite
Apoptosis related
Member status
member
MOA
Apoptosis Inhibitors
Dihydroorotate Dehydrogenase (DHODH) Inhibitors
Antioxidants
beta-Amyloid (Abeta) Protein Neurotoxicity Inhibitors
Pathway
Metabolic Enzyme/Protease
Source data