CATECHIN GALLATE, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18O10
Molecular Weight	442.3723
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C4=CC(O)=C(O)C=C4)C(O)=C1

InChI

InChIKey=LSHVYAFMTMFKBA-PZJWPPBQSA-N

InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H18O10
Molecular Weight	442.3723
Charge	0
Count

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

Description
Sources: DOI: 10.1021/np068246q, Andersen O. M., Markham K.R. 'Flavonoids: Chemistry, Biochemistry and Applications' (2005), p.274, Retrieved from https://books.google.com/books?id=w3vLBQAAQBAJ&dq

(+)-Catechin gallate is a polyphenol, which occurs naturally in grapes, probably in green tea leaves (trace amounts) and other plants.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

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 08:39:31 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:31 GMT 2023`
Record UNII	78OW2GLG8Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CATECHIN GALLATE, (+)-

Common Name

English

(+)-CATECHIN GALLATE

Common Name

English

BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-5,7-DIHYDROXY-2H-1-BENZOPYRAN-3-YL ESTER

Systematic Name

English

(+)-CATECHIN 3-GALLATE

Common Name

English

CATECHIN GALLATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID501314340