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

CAS: 528-58-5 Cat. No.: C138948 分子式: C₁₅H₁₁ClO₆ 分子量: 322.7 EC番号: 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

同義語

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

仕様と純度

analytical standard, ≥98%(HPLC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 528772633
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-]
• 分子量: 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
    • 分類 Flavonoids
      • Subclass Hydroxyflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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

参考文献

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]