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Home Other Building Blocks PEONIDIN-3-GLUCOSIDE CHLORIDE

PEONIDIN-3-GLUCOSIDE CHLORIDE

CAS No.:
6906-39-4
Catalog Number:
AG00FAQ7
Molecular Formula:
C22H23ClO11
Molecular Weight:
498.8644
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Product Description
Catalog Number:
AG00FAQ7
Chemical Name:
PEONIDIN-3-GLUCOSIDE CHLORIDE
CAS Number:
6906-39-4
Molecular Formula:
C22H23ClO11
Molecular Weight:
498.8644
MDL Number:
MFCD00189435
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI:
InChI=1S/C22H22O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26);1H/t17-,18-,19+,20-,22-;/m1./s1
InChI Key:
VDTNZDSOEFSAIZ-VXZFYHBOSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
UNII:
3419IIT8I0
Properties
Complexity:
638  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
498.093g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
498.865g/mol
Monoisotopic Mass:
498.093g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
HPLC-DAD-ESI-MS analysis of flavonoid compounds in 5 seedless table grapes grown in Apulian Region. Journal of food science 20120201
Optimization of the extraction of anthocyanins from the fruit skin of Rhodomyrtus tomentosa (Ait.) Hassk and identification of anthocyanins in the extract using High-Performance Liquid Chromatography-Electrospray Ionization-Mass Spectrometry (HPLC-ESI-MS). International journal of molecular sciences 20120101
Exceptionally fast uptake and metabolism of cyanidin 3-glucoside by rat kidneys and liver. Journal of natural products 20110527
Switching to black rice diets modulates low-density lipoprotein oxidation and lipid measurements in rabbits. The American journal of the medical sciences 20110401
New phenolic grape skin products from Vitis vinifera cv. Pinot Noir. Journal of agricultural and food chemistry 20110209
Peonidin 3-glucoside inhibits lung cancer metastasis by downregulation of proteinases activities and MAPK pathway. Nutrition and cancer 20100101
Red-color related phenolic composition of Garnacha Tintorera (Vitis vinifera L.) grapes and red wines. Journal of agricultural and food chemistry 20090909
Induction of apoptosis and inhibition of invasion in human hepatoma cells by anthocyanins from meoru. Annals of the New York Academy of Sciences 20090801
Black rice anthocyanins inhibit cancer cells invasion via repressions of MMPs and u-PA expression. Chemico-biological interactions 20061107
Determination of acylated anthocyanin in human urine after ingesting a purple-fleshed sweet potato beverage with various contents of anthocyanin by LC-ESI-MS/MS. Bioscience, biotechnology, and biochemistry 20061001
Cyanidin 3-glucoside and peonidin 3-glucoside inhibit tumor cell growth and induce apoptosis in vitro and suppress tumor growth in vivo. Nutrition and cancer 20050101
Manipulating anthocyanin composition in Vitis vinifera suspension cultures by elicitation with jasmonic acid and light irradiation. Biotechnology letters 20030701
Properties