General
Preferred name
PROTOCATECHUALDEHYDE
Synonyms
protocatechuic aldehyde ()
3,4-Dihydroxybenzaldehyde ()
Rancinamycin IV ()
Catechaldehyde ()
P&D ID
PD071988
CAS
139-85-5
Tags
available
drug
Approved by
FDA
Drug Status
approved
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 Protocatechualdehyde (Catechaldehyde), a natural polyphenol compound isolated from the roots of radix Salviae Miltiorrhizae, is associated with a wide variety of biological activities and has been widely used in medicine as an antioxidant, anti-aging, an antibacterial and anti-inflammatory agent[1].
PRICE 29
DESCRIPTION Protocatechualdehyde is a natural polyphenol compound isolated from the roots of radix Salviae Miltiorrhizae. It has different biological activities and has been widely used in medicine as an antioxidant, anti-aging, an antibacterial and anti-inflammatory agent. (Enamine Bioactive Compounds)
DESCRIPTION Protocatechualdehyde (3,4-Dihydroxybenzaldehyde), a natural polyphenol compound derived from radix Salviae Miltiorrhizae roots, exhibits diverse biological activities and finds extensive medicinal applications as an antioxidant, anti-aging, antibacterial, and anti-inflammatory agent. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
27547
DrugBank
DB11268
DrugCentral
4612
DrugCentral Approved Drugs
4612
DrugMAP
DM4O3DW
Enamine Bioactive Compounds
EBC-48058
MedChem Express Bioactive Compound Library
HY-N0295
Selleckchem Bioactive Compound Library
3-4-dihydroxybenzaldehyde
TargetMol Bioactive Compound Library
T3018
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
138.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.91
TPSA
57.53
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolism
Microbiology/virology
NF-κB
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Reactive Oxygen Species
Endogenous Metabolite
Reactive Oxygen Species (ROS)
Source data