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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

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 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:46 GMT 2023
Record UNII
SNF5N3QC4V
Record Status Validated (UNII)
Record Version
  • Download
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 GMT 2023 , Edited by admin on Sat Dec 16 19:01:46 GMT 2023
PRIMARY
FDA UNII
SNF5N3QC4V
Created by admin on Sat Dec 16 19:01:46 GMT 2023 , Edited by admin on Sat Dec 16 19:01:46 GMT 2023
PRIMARY
CAS
56324-52-8
Created by admin on Sat Dec 16 19:01:46 GMT 2023 , Edited by admin on Sat Dec 16 19:01:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
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.