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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O12
Molecular Weight 464.3763
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOQUERCETIN

SMILES

OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-N
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1

HIDE SMILES / InChI
Molecular Formula C21H20O12
Molecular Weight 464.3763
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:21 UTC 2023
Edited
by admin
on Fri Dec 15 18:29:21 UTC 2023
Record UNII
6HN2PC637T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOQUERCETIN
INCI  
Official Name English
QUERCETIN-3-O-.BETA.-D-GLUCOSIDE
Systematic Name English
QUERCETIN 3.BETA.-GLUCOSIDE
Common Name English
ISOQUERCETIN [INCI]
Common Name English
QUERCETIN-3-O-GLUCOSIDE
Common Name English
3',4',5,7-TETRAHYDROXYFLAVONE-3-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-
Common Name English
ISOQUERCITRIN [MI]
Common Name English
NSC-115918
Code English
QUERCETIN-3-.BETA.-GLUCOPYRANOSIDE
Common Name English
QUERCETIN 3-O-GLUCOSIDE
Common Name English
GLUCOSYL-3-QUERCETIN
Common Name English
Quercetin 3-O-glucopyranoside [WHO-DD]
Common Name English
QUERCETIN GLUCOSIDE
Common Name English
3-GLUCOSYLQUERCETIN
Common Name English
QUERCETIN 3-D-GLUCOSIDE
Common Name English
QUERCETIN 3-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
3-O-.BETA.-D-GLUCOPYRANOSYLQUERCETIN
Common Name English
QUERCETOL 3-MONOGLUCOSIDE
Common Name English
QUERCETIN 3-O-GLUCOPYRANOSIDE
WHO-DD  
Common Name English
CONTIGOSIDE B
Common Name English
QUERCETIN-3-GLUCOSE
Common Name English
ISOQUERCETIN, (-)-
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2- (3,4-DIHYDROXYPHENYL)-3- (SS-D-GLUCOFURANOSYLOXY)-5,7-DIHYDROXY-
Systematic Name English
QUERCETIN 3-O-GLUCOSIDE (CONSTITUENT OF GINKGO) [DSC]
Common Name English
HIRSUTRIN
Common Name English
RONACARE ISOQUERCETIN
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C68457
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
Code System Code Type Description
CHEBI
28299
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
NSC
115918
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
PUBCHEM
5280804
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID3041110
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
FDA UNII
6HN2PC637T
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
MESH
C110309
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
CHEBI
68352
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
CAS
482-35-9
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
NCI_THESAURUS
C117288
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
WIKIPEDIA
ISOQUERCETIN
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
SMS_ID
300000017646
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
MERCK INDEX
m6537
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB12665
Created by admin on Fri Dec 15 18:29:21 UTC 2023 , Edited by admin on Fri Dec 15 18:29:21 UTC 2023
PRIMARY
Related Record Type Details
CALENDULA OFFICINALIS FLOWER
PARENT -> CONSTITUENT ALWAYS PRESENT
CALENDULA OFFICINALIS FLOWER Flavonoid
GINKGO
PARENT -> CONSTITUENT ALWAYS PRESENT
MORINGA OLEIFERA LEAF
PARENT -> CONSTITUENT ALWAYS PRESENT
Repeated chromatography of the n-BuOH soluble fraction yielded this flavonoid glucoside. Has shown antimicrobial activiral activity in other studies.
COCOA
PARENT -> CONSTITUENT ALWAYS PRESENT
Secondary metabolite detected in developing cacao seeds.
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