ISOSCUTELLAREIN 8-O-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18O12
Molecular Weight	462.3604
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=FBDUYUDFMFZSDJ-ZUGPOPFOSA-N

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-23,25-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O12
Molecular Weight	462.3604
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 `Wed Apr 02 11:18:57 GMT 2025` Edited by `admin` on `Wed Apr 02 11:18:57 GMT 2025`
Record UNII	YLG58ML3CY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Preferred Name

English

ISOSCUTELLAREIN 8-O-.BETA.-D-GLUCURONIDE

Common Name

English

ISOSCUTELLAREIN 8-O-GLUCURONIDE

Common Name

English

8-HYDROXYAPIGENIN 8-O-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXOCHROMEN-8-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Systematic Name

English

ISOSCUTELLAREIN 8-GLUCURONIDE

Common Name

English

Code System Code Type Description

FDA UNII

YLG58ML3CY

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

PRIMARY

PUBCHEM

14332450

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

PRIMARY

CAS

56317-09-0

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

PRIMARY

Related Record Type Details


					Q7RNT1G37V

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 68.1 uM.

Amount: