EPICATECHIN-7-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O12
Molecular Weight	466.3922
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2O

InChI

InChIKey=FDWDKTKDGDLDTP-BBGDWMAASA-N

InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O12
Molecular Weight	466.3922
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:20:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:20:22 UTC 2023`
Record UNII	2HIH3MX5PY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPICATECHIN-7-GLUCURONIDE

Common Name

English

(-)-EPICATECHIN 7-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-3,5-DIHYDROXY-2H-1-BENZOPYRAN-7-YL

Common Name

English

EPICATECHIN 7-O-.BETA.-D-GLUCURONIDE

Common Name

English

(-)-EPICATECHIN-7-.BETA.-D-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5-DIHYDROXYCHROMAN-7-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

(-)-EPICATECHIN-7-O-GLUCURONIDE

Common Name

English

Code System Code Type Description

CAS

389136-63-4

Created by admin on Sat Dec 16 08:20:22 UTC 2023 , Edited by admin on Sat Dec 16 08:20:22 UTC 2023

PRIMARY

PUBCHEM

76961592

Created by admin on Sat Dec 16 08:20:22 UTC 2023 , Edited by admin on Sat Dec 16 08:20:22 UTC 2023

PRIMARY

FDA UNII

2HIH3MX5PY

Created by admin on Sat Dec 16 08:20:22 UTC 2023 , Edited by admin on Sat Dec 16 08:20:22 UTC 2023

PRIMARY

SMS_ID

300000013071

Created by admin on Sat Dec 16 08:20:22 UTC 2023 , Edited by admin on Sat Dec 16 08:20:22 UTC 2023

PRIMARY

Related Record Type Details


					W2ZU1RY8B0

GREEN TEA LEAF

PARENT -> METABOLITE ACTIVE

Comments:

Superoxide Dismutase Assay (SOD kit-WST); IC50 was lower than that of epicatechin.

Interaction Type:

IN-VITRO

Qualification:

IC50

Amount: