epigallocatechin-3-gallate

Ligand id: 7002

Name: epigallocatechin-3-gallate

Abbreviated name: EGCG

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 8
Rotatable bonds 4
Topological polar surface area 197.37
Molecular weight 458.08
XLogP 0.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Synonyms
epigallocatechin gallate
Database Links
BitterDB Ligand 808
CAS Registry No. 989-51-5
ChEBI CHEBI:4806
ChEMBL Ligand CHEMBL297453
PubChem CID 65064
RCSB PDB Ligand EGG, KDH
Search Google for chemical match using the InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N
Search Google for chemicals with the same backbone WMBWREPUVVBILR
Search UniChem for chemical match using the InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N
Search UniChem for chemicals with the same backbone WMBWREPUVVBILR
Wikipedia Epigallocatechin_gallate