Pelargonidinchlorid - ≥97% , CAS No.134-04-3

CAS: 134-04-3 Cat. No.: P132376 Summenformel: C₁₅H₁₁ClO₅ Molekulargewicht: 306.7 Beilstein Registry Number: 3922945 EG-Nummer: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

Pelargonidinchlorid ist ein antioxidativ wirkendes Flavonoid und Stickoxid-Fänger.
Beteiligt an pharmakologischen Studien zur Untersuchung der Verwendung von Flavonoiden als Hemmstoffe von CD38 Antioxidans und Anthocyanidin: . Findet sich in verschiedenen natürlichen Quellen, die auf ihre hemmende Wirkung auf Dickdarm- und Leberkrebszellen untersucht wurden. Wird als Hyroperoxid- und Wasserstoffperoxid-Fänger verwendet. Wird zur Untersuchung der Beziehung zwischen Struktur, antioxidativer Kapazität und Redoxpotentialen verwendet. Studien zur Bestimmung des Mechanismus des Radikalfängers

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

Antioxidans und Anthocyanidin.

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504754137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754137

Kanonisches Lächeln

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

Isomere SMILES

C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]

PubChem CID

67249

Molekulargewicht

306.7

Beilstein

3922945

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

Glo1 Glyoxalase I (4 Activities)

Discover Target: Glo1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): >350°C
• Molekulargewicht: 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