GALLOCATECHIN GALLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18O11
Molecular Weight	458.3717
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C4=CC(O)=C(O)C(O)=C4

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	458.3717
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18318450

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

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Diastereomeric difference of inclusion modes between (-)-epicatechin gallate, (-)-epigallocatechin gallate and (+)-gallocatechin gallate, with beta-cyclodextrin in aqueous solvent.	2008 May	18318450

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 Dec 16 08:25:32 GMT 2023` Edited by `admin` on `Sat Dec 16 08:25:32 GMT 2023`
Record UNII	0C056HB16M
Record Status	`Validated (UNII)`
Record Version

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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