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Oenin Chloride - ≥90% (HPLC), high purity , CAS No.7228-78-6
Basic Description
Synonyms
EINECS 230-631-9 | Malvidin-3-glucoside (chloride) | MFCD00185576 | Malvidine-3-glucoside | MALVINIDIN 3-GLUCOSIDE | (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride | MS-
Specifications & Purity
≥90%(HPLC)
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Anthocyanins
Direct Parent
Anthocyanidin-3-O-glycosides
Alternative Parents
Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds 1-benzopyrans Dimethoxybenzenes Methoxyphenols Anisoles Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic chloride salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - M-dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Dimethoxybenzene - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Ether - Organoheterocyclic compound - Acetal - Polyol - Oxacycle - Primary alcohol - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic chloride salt - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
INCHI
InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1
InChIKey
YDIKCZBMBPOGFT-DIONPBRTSA-N
Smiles
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Isomeric SMILES
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
WGK Germany
1
Molecular Weight
528.89
Reaxy-Rn
35772687
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35772687&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Flash Point(°F)
51.8 °F
Flash Point(°C)
11 °C
Molecular Weight
528.900 g/mol
XLogP3
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
6
Exact Mass
528.103 Da
Monoisotopic Mass
528.103 Da
Topological Polar Surface Area
180.000 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
669.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
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1 Citations
C2316236