Pelargonidin chloride - ≥97% , CAS No.134-04-3

CAS: 134-04-3 Cat. No.: P132376 Peso molecular: 306.7 Beilstein Registry Number: 3922945 Número EC: 205-127-7 PubChem CID: 67249

GRADE & PURITY ≥97%

Synonyms

AC-34446 | BCP24005 | UNII-DFL6200791 | Pelargonidin | Pelargonidin(chloride) | PELARGONIDIN (CHLORIDE) | FT-0631777 | CHEBI:28510 | 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride | SCHEMBL20591 | EINECS 205-127-7 | 3,5,7-Trihydroxy-2-(4-hy

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Pelargonidin chloride is an antioxidant flavonoid and nitric oxide scavenger.
Involved in pharmacological studies investigating the use of flavonoids as inhibitors of CD38 Antioxidant and anthocyanidin: . Found in various natural sources evaluated for inhibitory effects on colon and liver cancer cells . Used as hyroperoxide and hydrogen peroxide scavenging substance . Used to study relationship between structure, antioxidant capacity and redox potentials . Studied to determine the mechanism of radical-scavenging

Specifications

Sinónimos

AC-34446 | BCP24005 | UNII-DFL6200791 | Pelargonidin | Pelargonidin(chloride) | PELARGONIDIN (CHLORIDE) | FT-0631777 | CHEBI:28510 | 3, 5, 7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride | SCHEMBL20591 | EINECS 205-127-7 | 3, 5, 7-Trihydroxy-2-(4-hy

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Antioxidant and anthocyanidin.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754137
• Sonrisas canónicas: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
• IUPAC Name: 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride
• InChIKey: YPVZJXMTXCOTJN-UHFFFAOYSA-N
• INCHI: 1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
• Isómeros SMILES: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
• PubChem CID: 67249
• Peso molecular: 306.7
• Beilstein: 3922945

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Hydroxyflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxyflavonoids
• Alternative Parents: 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins 1-benzopyrans 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
• Descripción: 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: anthocyanidin chloride

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

Objetivos asociados (humanos)

OR51E2 Tchem Olfactory receptor 51E2 (2 Activities)

Discover Target: OR51E2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HL-60 (67320 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Glo1 Glyoxalase I (4 Activities)

Discover Target: Glo1

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >350°C
• Peso molecular: 306.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 306.03 Da
• Monoisotopic Mass: 306.03 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 328.000
• 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

Referencias

1. Yu-Sheng Shi, Xiao-Xing Li, Hao-Tian Li, Yan Zhang.  (2020)  Pelargonidin ameliorates CCl4-induced liver fibrosis by suppressing the ROS-NLRP3-IL-1β axis via activating the Nrf2 pathway.  Food & Function,  11  (6): (5156-5165).  [PMID:32432601] [10.1039/D0FO00660B]

2. Yi He, Xingyu Li, Kaineng Huang, Xuchao Jia, Yuanji Gao.  (2025)  Bubbling extraction for direct mass spectrometric analysis of food matrix samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114280]