General
Preferred name
VANILLIC ACID
Synonyms
4-hydroxy-3-methoxybenzoic acid ()
Acide vanillique ()
Vanillate ()
P&D ID
PD064953
CAS
121-34-6
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-¦ÊB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].
PRICE
29
DESCRIPTION
Vanillin is a compound widely used in foods, beverages, cosmetics and drugs. It has antimutagenic, antiangiogenetic, anti-colitis, anti-sickling, and antianalgesic effects. It inhibits acetylcholinesterase, carbonic anhydrase isoforms I and II.
(Enamine Bioactive Compounds)
DESCRIPTION
Vanillic Acid (Acide vanillique) is used as a condiment in food,which used in wine and vinegar. It is an intermediate in the production of vanillin from ferulic acid.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
0
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Molecular Weight
168.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.1
TPSA
66.76
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
NF-??
Metabolism
Microbiology/virology
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
NF-κB
Source data
