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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 QUERCITURONE

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC=C(O)C(O)=C4)C(O)=O

InChI

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

PubMed

PubMed

TitleDatePubMed
Properties of quercetin conjugates: modulation of LDL oxidation and binding to human serum albumin.
2004 Aug
Patents

Patents

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:19:22 GMT 2025
Edited
by admin
on Wed Apr 02 20:19:22 GMT 2025
Record UNII
RY36PD0CQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCITURONE
Common Name English
HMDB29212
Preferred Name English
QUERCETIN 3-O-.BETA.-D-GLUCURONOPYRANOSIDE
Common Name English
QUERCETIN .BETA.-GLUCURONIDE
Common Name English
GLUCOPYRANOSIDURONIC ACID, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-3-YL, .BETA.-D-
Common Name English
QUERCETIN GLUCURONIDE
Common Name English
QUERCETIN 3-.BETA.-GLUCURONIDE
Common Name English
QUERCETIN-3-GLUCOSIDURONIC ACID
Common Name English
QUERCETIN-3-.BETA.-D-GLUCURONIDE
Common Name English
QUERCITURON
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-3-YL
Common Name English
QUERCETIN 3-O-GLUCURONIDE
Common Name English
MIKWELIANIN
Common Name English
MIQUELIANIN
Common Name English
QUERCETIN-3-O-.BETA.-D-GLUCURONIDE
Common Name English
QUERCETIN 3-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
22688-79-5
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
PRIMARY
CHEBI
66395
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
PRIMARY
FDA UNII
RY36PD0CQ2
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
PRIMARY
WIKIPEDIA
Miquelianin
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
PRIMARY
PUBCHEM
5274585
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID70945358
Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025
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 an IC50 value of 44.4 uM.
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
PARENT -> METABOLITE