General
Preferred name
Methyl 3,4-dihydroxybenzoate
Synonyms
3,4-Dihydroxybenzoic acid methyl ester ()
METHYL PROTOCATECHUATE ()
Protocatechuic acid methyl ester ()
P&D ID
PD055619
CAS
2150-43-8
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 Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].
PRICE 29
DESCRIPTION Methyl 3,4-dihydroxybenzoate is a major metabolite of antioxidant polyphenols found in green tea. It has antioxidant and anti-inflammatory effect. Methyl 3,4-dihydroxybenzoate inhibits mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. (Enamine Bioactive Compounds)
DESCRIPTION Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester), a key metabolite of antioxidant polyphenols in green tea, exhibits significant antioxidant and anti-inflammatory properties. (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
EBC-152369
MedChem Express Bioactive Compound Library
HY-Z0548
Selleckchem Bioactive Compound Library
methyl-protocatechuate
TargetMol Bioactive Compound Library
T1368
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
168.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.88
TPSA
66.76
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
NF-??
Immunology/Inflammation
oxidation-reduction
NF-κB
Target
antioxidant
Apoptosis
Keap1-Nrf2
MOA
Antioxidant
Source data