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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O10
Molecular Weight 433.3854
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of PELARGONIDIN 3-GLUCOSIDE ION

SMILES

OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-O
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O10
Molecular Weight 432.3775
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
705.0 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Ellagitannins, flavonoids, and other phenolics in red raspberries and their contribution to antioxidant capacity and vasorelaxation properties.
2002 Aug 28
Anthocyanin color behavior and stability during storage: effect of intermolecular copigmentation.
2002 Dec 4
Characterization of anthocyanin extracts from maize kernels.
2005 Oct
Ingested delphinidin-3-rutinoside is primarily excreted to urine as the intact form and to bile as the methylated form in rats.
2006 Jan 25
Strawberry pelargonidin glycosides are excreted in urine as intact glycosides and glucuronidated pelargonidin derivatives in rats.
2007 Dec
Assessment of the differences in the phenolic composition of five strawberry cultivars (Fragaria x ananassa Duch.) grown in two different soilless systems.
2007 Mar 7
Constituents and antimicrobial properties of blue honeysuckle: a novel source for phenolic antioxidants.
2008 Dec 24
Improving the screening process for the selection of potato breeding lines with enhanced polyphenolics content.
2008 Nov 12
Polyphenols and phenolic acids from strawberry and apple decrease glucose uptake and transport by human intestinal Caco-2 cells.
2010 Dec
Comparison of transcriptional profiles of flavonoid genes and anthocyanin contents during fruit development of two botanical forms of Fragaria chiloensis ssp. chiloensis.
2010 Nov
Fresh raspberry phytochemical extract inhibits hepatic lesion in a Wistar rat model.
2010 Nov 25
Malvidin-3-glucoside protects endothelial cells up-regulating endothelial NO synthase and inhibiting peroxynitrite-induced NF-kB activation.
2012 Sep 30
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:49:49 GMT 2023
Edited
by admin
on Sat Dec 16 09:49:49 GMT 2023
Record UNII
W623YHH61A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELARGONIDIN 3-GLUCOSIDE ION
Common Name English
PELARGONIDIN 3-O-.BETA.-GLUCOPYRANOSIDE
Common Name English
PELARGONIDIN 3-GLUCOSIDE CATION
Common Name English
1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Callistephin
Created by admin on Sat Dec 16 09:49:49 GMT 2023 , Edited by admin on Sat Dec 16 09:49:49 GMT 2023
PRIMARY
PUBCHEM
443648
Created by admin on Sat Dec 16 09:49:49 GMT 2023 , Edited by admin on Sat Dec 16 09:49:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID201336082
Created by admin on Sat Dec 16 09:49:49 GMT 2023 , Edited by admin on Sat Dec 16 09:49:49 GMT 2023
PRIMARY
CAS
47684-27-5
Created by admin on Sat Dec 16 09:49:49 GMT 2023 , Edited by admin on Sat Dec 16 09:49:49 GMT 2023
PRIMARY
FDA UNII
W623YHH61A
Created by admin on Sat Dec 16 09:49:49 GMT 2023 , Edited by admin on Sat Dec 16 09:49:49 GMT 2023
PRIMARY