U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H22O11
Molecular Weight 486.4258
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4',4''-DIMETHYLEPIGALLOCATECHIN GALLATE

SMILES

COc1c(cc(cc1O)[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)OC)O)O

InChI

InChIKey=HFWSXNDMKGHKRD-NHCUHLMSSA-N
InChI=1S/C24H22O11/c1-32-22-15(27)3-10(4-16(22)28)21-20(9-13-14(26)7-12(25)8-19(13)34-21)35-24(31)11-5-17(29)23(33-2)18(30)6-11/h3-8,20-21,25-30H,9H2,1-2H3/t20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H22O11
Molecular Weight 486.4258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:02:44 UTC 2021
Edited
by admin
on Sat Jun 26 12:02:44 UTC 2021
Record UNII
SQK5F3Y21Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4',4''-DIMETHYLEPIGALLOCATECHIN GALLATE
Common Name English
BENZOIC ACID, 3,5-DIHYDROXY-4-METHOXY-, (2R,3R)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)-3,4-DIHYDRO-5,7-DIHYDROXY-2H-1-BENZOPYRAN-3-YL ESTER
Common Name English
4',4''-DIMETHYL EGCG
Common Name English
4',4''-DI-O-METHYL-(-)-EPIGALLOCATECHIN-3-O-GALLATE
Common Name English
4',4''-DI-O-METHYL-EGCG
Common Name English
(2R,3R)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)-5,7-DIHYDROXYCHROMAN-3-YL 3,5-DIHYDROXY-4-METHOXYBENZOATE
Systematic Name English
Code System Code Type Description
CAS
298700-58-0
Created by admin on Sat Jun 26 12:02:44 UTC 2021 , Edited by admin on Sat Jun 26 12:02:44 UTC 2021
PRIMARY
FDA UNII
SQK5F3Y21Q
Created by admin on Sat Jun 26 12:02:44 UTC 2021 , Edited by admin on Sat Jun 26 12:02:44 UTC 2021
PRIMARY
PUBCHEM
23583136
Created by admin on Sat Jun 26 12:02:44 UTC 2021 , Edited by admin on Sat Jun 26 12:02:44 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Ferric reducing antioxidant parameter (FRAP) assay; Unit: mcM trolox equivalent)
IN-VITRO