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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18O11
Molecular Weight 458.3726
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALLOCATECHIN GALLATE

SMILES

c1c(cc(c(c1O)O)O)[C@]2([H])[C@]([H])(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

InChI

InChIKey=WMBWREPUVVBILR-GHTZIAJQSA-N
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H18O11
Molecular Weight 458.3726
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

(+)-Gallocatechin gallate is a polyphenol, which occurs naturally in green tea leaves.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Diastereomeric difference of inclusion modes between (-)-epicatechin gallate, (-)-epigallocatechin gallate and (+)-gallocatechin gallate, with beta-cyclodextrin in aqueous solvent.
2008 May
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:48:11 UTC 2021
Edited
by admin
on Sat Jun 26 00:48:11 UTC 2021
Record UNII
0C056HB16M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GALLOCATECHIN GALLATE
Common Name English
(+)-GALLOCATECHIN-3-O-GALLATE
Common Name English
(+)-GALLOCATECHOL GALLATE
Common Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2R,3S)-3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER
Systematic Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, 3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER, (2R-TRANS)-
Systematic Name English
(+)-GALLOCATECHIN GALLATE
Common Name English
GALLIC ACID, ESTER WITH GALLOCATECHOL
Common Name English
Code System Code Type Description
PUBCHEM
5276890
Created by admin on Sat Jun 26 00:48:11 UTC 2021 , Edited by admin on Sat Jun 26 00:48:11 UTC 2021
PRIMARY
FDA UNII
0C056HB16M
Created by admin on Sat Jun 26 00:48:11 UTC 2021 , Edited by admin on Sat Jun 26 00:48:11 UTC 2021
PRIMARY
WIKIPEDIA
Gallocatechin gallate
Created by admin on Sat Jun 26 00:48:11 UTC 2021 , Edited by admin on Sat Jun 26 00:48:11 UTC 2021
PRIMARY
CAS
5127-64-0
Created by admin on Sat Jun 26 00:48:11 UTC 2021 , Edited by admin on Sat Jun 26 00:48:11 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT