HYPOLAETIN 8-O-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18O13
Molecular Weight	478.3598
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HYPOLAETIN 8-O-.BETA.-D-GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C4=CC=C(O)C(O)=C4)C(O)=O

InChI

InChIKey=BVMDSEFJGKQBKJ-ZUGPOPFOSA-N

InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)17(18(13)32-12)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O13
Molecular Weight	478.3598
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:01:46 UTC 2023` Edited by `admin` on `Sat Dec 16 19:01:46 UTC 2023`
Record UNII	SNF5N3QC4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYPOLAETIN 8-O-.BETA.-D-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-((2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-8-YL)OXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-8-YL

Systematic Name

English

HYPOLAETIN 8-O-GLUCURONIDE

Common Name

English

HYPOLAETIN 8-GLUCURONIDE

Common Name

English

8-HYDROXYLUTEOLIN 8-GLUCURONIDE

Common Name

English

2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-8-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

14887605

Created by admin on Sat Dec 16 19:01:46 UTC 2023 , Edited by admin on Sat Dec 16 19:01:46 UTC 2023

PRIMARY

FDA UNII

SNF5N3QC4V

Created by admin on Sat Dec 16 19:01:46 UTC 2023 , Edited by admin on Sat Dec 16 19:01:46 UTC 2023

PRIMARY

CAS

56324-52-8

Created by admin on Sat Dec 16 19:01:46 UTC 2023 , Edited by admin on Sat Dec 16 19:01:46 UTC 2023

PRIMARY

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THEOBROMA GRANDIFLORUM SEED

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

The compound was screened for it's antioxidant capacity in the DPPH assay, and displayed a high antioxidant activity, with IC50 value of 58.2 uM.

Amount: