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Peonidin chloride

CAT: 0013-GTR19183698-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Peonidin chloride is a bioactive anthocyanin metabolite with demonstrated antioxidant properties. Research indicates it exhibits potent in vitro anti-cancer activity, including the inhibition and induction of apoptosis in metastatic human breast cancer cell lines, supporting its use in oncology and biochemistry studies.
CAS Number
134-01-0
Field of Research
Immunology & Inflammation, Neuroscience, Signal Transduction
Smiles
[Cl-].OC=1C=C (O) C=2C=C (O) C (=[O+]C2C1) C=3C=CC (O) =C (OC) C3
Molecular Formula
C16H13ClO6
Molecular Weight
336.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Peonidin

Peonidin chloride is an anthocyanidin chloride that has peonidin as the cationic component. It has a role as an antioxidant, a metabolite, an antineoplastic agent and an apoptosis inducer. It contains a peonidin.

CAS Number134-01-0
PubChem CID164544
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol chloride
Molecular FormulaC16H13ClO6
Molecular Weight336.72
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity378
SMILES
COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
InChI
InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
InChIKey
OGBSHLKSHNAPEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Peonidin
CAS: 134-01-0
CID: 164544
Formula: C16H13ClO6
MW: 336.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.72
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass336.0400658
Monoisotopic Mass336.0400658
Topological Polar Surface Area91.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
RM-P050400-01Peonidin Chloride
HY-N2459Peonidin (chloride)
HY-N2459RPeonidin (chloride) (Standard)
462216Peonidin Chloride-d3
CBA21474-01Peonidin 3-arabinoside chloride
294502-01Peonidin 3-glucoside chloride
AB0435Peonidin-3-galactoside chloride
FP65437Peonidin-3,5-diglucoside chloride
HY-126411-01Peonidin-3-O-galactoside (chloride)
TBW00261Peonidin-3-O-glucoside chloride

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