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

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