Cyanidin chloride - analytical standard, ≥98%(HPLC) , CAS No.528-58-5

CAS: 528-58-5 Cat. No.: C138948 Molecular Weight: 322.7 EC Number: 208-438-6

GRADE & PURITY Analytical standard, ≥98%(HPLC)

Synonyms

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride | BDBM50462423 | NSC407291 | NSC-407291 | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride | Cyanidol | AC-34419 | CyanidinChloride | Cyanidin-Chloride | Cyanidin chloride, analytical s

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-(3, 4-Dihydroxyphenyl)-3, 5, 7-trihydroxychromenylium chloride | BDBM50462423 | NSC407291 | NSC-407291 | 2-(3, 4-dihydroxyphenyl)chromenylium-3, 5, 7-triol chloride | Cyanidol | AC-34419 | CyanidinChloride | Cyanidin-Chloride | Cyanidin chloride, analytical s

Specifications & Purity

analytical standard, ≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]
• IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride
• InChIKey: COAWNPJQKJEHPG-UHFFFAOYSA-N
• INCHI: 1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
• Isomeric SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]
• Molecular Weight: 322.7
• Reaxy-Rn: 3924084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3924084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Hydroxyflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Hydroxyflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxyflavonoids
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins 1-benzopyrans Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Organic chloride salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Polyol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HL-60 (67320 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Glo1 Glyoxalase I (4 Activities)

Discover Target: Glo1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DPP4 Dipeptidyl peptidase IV (11 Activities)

Discover Target: DPP4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 322.690 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 322.024 Da
• Monoisotopic Mass: 322.024 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 364.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

References

1. Yake Xiang, Xiao Chen, Hailan Sun, Qiping Zhan, Lei Zhong, Qiuhui Hu, Liyan Zhao.  (2022)  The critical roles of α-amylase and amyloglucosidase in improving the quality of black waxy corn beverages: Special attentions to the color and flavor.  JOURNAL OF CEREAL SCIENCE,      [PMID:] [10.1016/j.jcs.2022.103625]

2. Chengshuai Li, Lijing Zhang, Decao Niu, Shuzhen Nan, Xiumei Miao, Xiaowei Hu, Hua Fu.  (2021)  Investigation of flavonoid expression and metabolite content patterns during seed formation of Artemisia sphaerocephala Krasch..  SEED SCIENCE RESEARCH,  31  (2): (136-148).  [PMID:] [10.1017/S096025852100012X]