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Kuromanin chloride

CAT: 0931-T3406-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3406-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7084-24-4
Target
NF-κB, CD38
Related Pathways
Immunology/Inflammation, NF-κB
Purity
0.9984
Bioactivity
Kuromanin chloride (Chrysontemin chloride) is potent antioxidants and free radical scavengers, may act as modulators of gene regulation and signal transduction pathways.
Smiles
[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C21H21ClO11
Molecular Weight
484.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

cyanidin 3-O-glucoside

chrysanthemin has been reported in Secale cereale, Prunus persica, and other organisms with data available.

CAS Number7084-24-4
PubChem CID197081
IUPAC Name(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Molecular FormulaC21H21ClO11
Molecular Weight484.8
Topological Polar Surface Area181
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity623
SMILES
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-]
InChI
InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
InChIKey
YTMNONATNXDQJF-UBNZBFALSA-N
Chemical Structure
2D Structure
2D structure of cyanidin 3-O-glucoside
CAS: 7084-24-4
CID: 197081
Formula: C21H21ClO11
MW: 484.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass484.0772392
Monoisotopic Mass484.0772392
Topological Polar Surface Area181 Ų
Heavy Atom Count33
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3607567-01Kuromanin chloride
HY-N0640-01Kuromanin (chloride)
HY-N0640R-01Kuromanin (chloride) (Standard)
RM-C015908-01Cyanidin 3-O-Glucoside Chloride (Kuromanin Chloride)
A14635-100Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 100mg
A14635-1Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 1mg
A14635-25Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 25mg
A14635-5Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 5mg
A14635-10Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 10mg
A14635-2Kuromanin chloride (Cyanidin-3-O-glucoside chloride) 2mg

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