General
Preferred name
Ethylvanillin
Synonyms
ETHYL VANILLIN ()
3-Ethoxy-4-hydroxybenzaldehyde ()
Ethylprotal ()
Bourbonal ()
Rhodiarome ()
Ethylprotal, Bourbonal, Rhodiarome ()
Arovanillon ()
NSC-67240 ()
NSC-1803 ()
FEMA NO. 2464 ()
Vanillal ()
Vanillin,ethyl ()
Ethyl protocatechuic aldehyde ()
J2.006K ()
P&D ID
PD000824
CAS
121-32-4
Tags
available
drug candidate
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 Ethylvanillin is an orally active antioxidant that can affect cytochrome P450 activity in rats. It can also be used as a food flavoring agent in the field of food processing[1][2].
PRICE 29
DESCRIPTION 3-Ethoxy-4-hydroxybenzaldehyde is a flavoring agent commonly used in the production of chocolate and other foods. (BOC Sciences Bioactive Compounds)
DESCRIPTION Ethylvanillin (Rhodiarome) is a flavorant used in the production of chocolate. It is about three times as potent as vanillin. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
9
BOC Sciences Bioactive Compounds
3-ethoxy-4-hydroxybenzaldehyde-cas-121-32-4-338924
ChEMBL Drugs
CHEMBL508676
Drug Repurposing Hub
DrugMAP
DM9WMJ1
MedChem Express Bioactive Compound Library
HY-B0940
NPC Screening Collection
Selleckchem Bioactive Compound Library
ethylvanillin
TargetMol Bioactive Compound Library
T0491
The Spectrum Collection
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
166.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.6
TPSA
46.53
Fraction CSP3
0.22
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)
Target
Cytochrome P450
Pathway
Metabolic Enzyme/Protease
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Source data