General
Preferred name
PROTOCATECHUIC ACID
Synonyms
3, 4-Dihydroxybenzoic acid ()
Protocatechuate ()
3,4-Dihydroxybenzoic Acid ()
3,4-Dihydroxybenzoic acid, Protocatechuate ()
Protocatechuic Acid ()
P&D ID
PD006619
CAS
99-50-3
1225528-47-1
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 Protocatechuic acid is a phenolic compound which exhibits neuroprotective effect.
PRICE 29
DESCRIPTION Protocatechuic acid is an inhibitor of influenza A RNA dependent RNA polymerase PA subunit endonuclease. (Enamine Bioactive Compounds)
DESCRIPTION Protocatechuic acid (3, 4-Dihydroxybenzoic acid) (3, 4-dihydroxybenzoic acid) is a natural phenolic compound found in many edible and medicinal plants. Recent studies indicate that it could be used as a protective agent against cardiovascular diseases and neoplasms. The mechanism of its action is mostly associated with antioxidant activity, including inhibition of generation as well as scavenging of free radicals and up-regulating enzymes which participate in their neutralization. (TargetMol Bioactive Compound Library)
Compound Sets
9
Cayman Chemical Bioactives
14916
CZ-OPENSCREEN Bioactive Library
DrugBank
DB03946
Enamine Bioactive Compounds
EBC-04042
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
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
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