General
Preferred name
VANILLIN
Synonyms
Vanillaldehyde ()
FEMA 3107 ()
m-Methoxy-p-hydroxybenzaldehyde ()
p-Hydroxy-m-methoxybenzaldehyde ()
p-Vanillin ()
T83193 ()
4-hydroxy-3-methoxy-benzyldehyde ()
Vanillin melting point standard ()
Rhovanil ()
vanilline ()
Methylprotocatechuic aldehyde ()
Vanillin, natural ()
FEMA NO. 3107 ()
NSC-48383 ()
NSC-15351 ()
Lioxin ()
Vanillic aldehyde ()
H-0264 ()
NSC-403658 ()
NPLC-0145 ()
P&D ID
PD010486
CAS
121-33-5
Tags
available
drug candidate
natural product
Drug indication
Discovery agent
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
Natural extract of the vanilla bean, now also available as a synthetic compound.
(GtoPdb)
DESCRIPTION
Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine.
PRICE
29
DESCRIPTION
Vanillin is widely used as a flavoring additive in food, beverage, cosmetic and drug industries. It is reported to cross the blood brain barrier and also displayed antioxidant and neuroprotective activities. Vanillin is a natural substance widely found in many plant species and often used in beverages, foods, cosmetics, and pharmaceutical products. Antioxidant and anticancer potential have been described for this compound. Vanillin has been classified as a bioantimutagen and is able to inhibit mutagenesis induced by chemical and physical mutagens in various cell systems. Vanillin is a selective agonist of TRPV1.
(Enamine Bioactive Compounds)
DESCRIPTION
Vanillin (Zimco) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine.Vanillin can reversibly and non-competitively inhibit the cellulase activity at appropriate concentrations and the value of IC50 was estimated to be 30 g/L.Vanillin protects KSC from UVB irradiation and its effects may occur through the suppression of downstream step of MDM2 in UVB irradiation-induced p53 activation. Vanillin also inhibits yeast growth and fermentation.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugMAP
Enamine Bioactive Compounds
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Molecular Weight
152.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.21
TPSA
46.53
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
ABAT, ALDH5A1
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data
