General
Preferred name
(-)-Epicatechin gallate
Synonyms
EPICATECHIN MONOGALLATE ()
(-)-Epicatechin 3-O-gallate ()
EPICATECHIN GALLATE ()
ECG ()
(-)-Epicatechin 3-gallate ()
(?)-Epicatechin 3-gallate ()
(?)-ECG ()
(?)-Epicatechin-3-O-gallate ()
ECG(-)-Epicatechin 3-gallate(?)-Epicatechin 3-gallate ()
(?)-ECG, (?)-Epicatechin 3-gallate, (?)-Epicatechin-3-O-gallate ()
P&D ID
PD002149
CAS
1257-08-5
Tags
natural product
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 Epicatechin gallate is a naturally occurring plant-derived compound. (GtoPdb)
Cell lines
1
Organisms
1
Compound Sets
12
AdooQ Bioactive Compound Library
A12044
Cayman Chemical Bioactives
11808
Concise Guide to Pharmacology 2023/24
12462
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
EOS100903
Guide to Pharmacology
12462
MedChem Express Bioactive Compound Library
HY-N0002
ReFrame library
Selleckchem Bioactive Compound Library
epicatechin-gallate
TargetMol Bioactive Compound Library
T2732
The Spectrum Collection
ZINC Tool Compounds
ZINC000003978503
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
442.09
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.53
TPSA
177.14
Fraction CSP3
0.14
Chiral centers
2.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Anti-infection
Autophagy
Target
COX
BACE1, FASN
Virus Protease
MOA
bacterial DNA gyrase inhibitor
Source data