General
Preferred name
VERATRIC ACID
Synonyms
Veratrumenoic acid ()
3,4-Dimethoxybenzoic acid ()
P&D ID
PD002114
CAS
93-07-2
Tags
available
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 Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].
PRICE 29
DESCRIPTION Inhibits the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV with Ki values of 6.83, 6.18, 7.15, 8.25, 6.7 and 0.74 µM, respectively. (Enamine Bioactive Compounds)
DESCRIPTION Veratric acid (3,4-Dimethoxybenzoic acid) is a benzoic acid derivative from plants and fruits, possessing antioxidant, anti-inflammatory, and blood pressure-lowering properties. (TargetMol Bioactive Compound Library)
Compound Sets
5
Enamine Bioactive Compounds
EBC-44444
MedChem Express Bioactive Compound Library
HY-N2007
Selleckchem Bioactive Compound Library
veratric-acid
TargetMol Bioactive Compound Library
T3744
The Spectrum Collection
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
182.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.4
TPSA
55.76
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolism
Neuroscience
NF-κB
Metabolic Enzyme/Protease
Target
COX
Reactive Oxygen Species
Reactive Oxygen Species (ROS)
COX,Immunology & Inflammation related,Interleukins,PGES
Source data