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
available
drug candidate
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
DrugBank
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
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
Related compounds
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
