General
Preferred name
vanillylmandelic acid
Synonyms
(±)-Vanillylmandelic acid ()
4-Hydroxy-3-methoxymandelic acid ()
VMA ()
P&D ID
PD015099
CAS
2394-20-9
55-10-7
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 Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 ¦ÌM[1].
PRICE 29
DESCRIPTION Metabolite of epinephrine (LOPAC library)
DESCRIPTION Vanillylmandelic acid, the end product of the metabolism of catecholamines, epinephrine, and norepinephrine, has antioxidant activity and is commonly used to help diagnose pheochromocytoma, as well as its elevation in association with depressive symptoms. (TargetMol Bioactive Compound Library)
Compound Sets
10
Cayman Chemical Bioactives
42992
Concise Guide to Pharmacology 2017/18
6645
Concise Guide to Pharmacology 2019/20
6645
Concise Guide to Pharmacology 2021/22
6645
Concise Guide to Pharmacology 2023/24
6645
Guide to Pharmacology
6645
LOPAC library
MedChem Express Bioactive Compound Library
HY-113121
Selleckchem Bioactive Compound Library
vanillylmandelic-acid
TargetMol Bioactive Compound Library
T0611
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
198.05
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
0.52
TPSA
86.99
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.66
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Target
antioxidant
Drug Metabolite
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
oxidation-reduction
Source data