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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

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 from strawberry (Fragaria ananassa) with the novel aglycone, 5-carboxypyranopelargonidin.
2004 Feb
Phenolic composition and antioxidant activities in flesh and achenes of strawberries (Fragaria ananassa).
2005 May 18
Strawberry pelargonidin glycosides are excreted in urine as intact glycosides and glucuronidated pelargonidin derivatives in rats.
2007 Dec
Urinary excretion of strawberry anthocyanins is dose dependent for physiological oral doses of fresh fruit.
2008 Oct
Fresh raspberry phytochemical extract inhibits hepatic lesion in a Wistar rat model.
2010 Nov 25
Bioavailability of strawberry antioxidants in human subjects.
2010 Oct
Malvidin-3-glucoside protects endothelial cells up-regulating endothelial NO synthase and inhibiting peroxynitrite-induced NF-kB activation.
2012 Sep 30
Patents
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
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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
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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