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Anthocyanins

Cyanidin Chloride

氯化矢车菊素

PHY-NP-13965 · Natural product research catalog

Catalog numberPHY-NP-13965
CAS number528-58-5
Molecular formulaC15H11ClO6
Molecular weight322.7 g/mol
Chemical classAnthocyanins
Main reported sourceVaccinium myrtillus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Cyanidin Chloride

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Product information

Cyanidin Chloride is listed in the Anthocyanins section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride
SMILESC1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]
InChIKeyCOAWNPJQKJEHPG-UHFFFAOYSA-N
Subclass / scaffoldAnthocyanidins
PubChem CID68247

Computed properties

Exact mass (Da)322.0244Predicted LogP2.9089
Predicted TPSA (Ų)112.45H-bond donors5
H-bond acceptors5Rotatable bonds1

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.0
Synthetic accessibility score3.04
QED score0.347
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classAnthocyanidins
Parent SMILESOc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1
Parent formulaC15H11O6+
Parent molecular weight287.247
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceVaccinium myrtillus
Reported source familiesCyperaceae; Adoxaceae; Salicaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesVaccinium myrtillus[4]; Camellia sinensis[2]; Matthiola incana[2]; Phaseolus vulgaris[2]; Rubus idaeus[2]; Salix alba[2]; Salix babylonica[2]; Salix caprea[2]; Salix fragilis[2]; Salix interior[2]; Salix purpurea[2]; Salix triandra[2]; pomegranate[2]; Abutilon theophrasti[1]; Acacia dealbata[1]
All reported source familiesCyperaceae[56]; Adoxaceae[24]; Salicaceae[16]; Rosaceae[14]; Ericaceae[11]; Hydrangeaceae[5]
Genus / family recordsCamellia[1]; Crataegus[1]; Fragaria[1]
LOTUS species records158
LOTUS reference records45
COCONUT occurrence recordsAbies amabilis; Abies grandis; Abutilon theophrasti; Acacia dealbata; Aconitum leucostomum; Aechmea glomerata; Aesculus hippocastanum; Aframomum amaniense; Aglaia elaeagnoidea; Aguacate; Alectoria divergens; Allium cepa; Amelanchier alnifolia; Anarsia lineatella; Anthelepis undulata; Antirrhinum majus; Aplidium orthium; Apollonias barbujana; Apterostigma dentigerum; Aquilegia ecalcarata; Arabidopsis thaliana; Aristolochia elegans; Aristolochia zollingeriana; Artemisia hanseniana; Aspergillus candidus; Astragalus gummifer; Balanophora involucrata; Bartramia pomiformis; Beauveria felina; Beilschmiedia anacardioides
COCONUT organism records286
COCONUT identifierCNP0492502.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.