General
Preferred name
METHYL CAFFEATE
Synonyms
Methyl caffeate acid ()
Caffeic Acid methyl ester ()
METHYLCAFFEATE ()
P&D ID
PD000135
CAS
3843-74-1
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 caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits ¦Á-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1].
PRICE 29
DESCRIPTION Methyl caffeate (Methyl caffeate acid) acid (TargetMol Bioactive Compound Library)
Cell lines
17
Organisms
1
Compound Sets
5
Cayman Chemical Bioactives
17873
MedChem Express Bioactive Compound Library
HY-N6005
Selleckchem Bioactive Compound Library
methyl-caffeate
TargetMol Bioactive Compound Library
TN1926
The Spectrum Collection
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
194.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.28
TPSA
66.76
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Carbohydrate Metabolism, Antioxidant
Pathway
Microbiology/virology
Anti-infection
Source data