Prunin - ≥95% , CAS No.529-55-5

CAS: 529-55-5 Cat. No.: P170813 Peso molecular: 434.39 Número EC: 208-464-8 PubChem CID: 92794

GRADE & PURITY ≥95%

Synonyms

SR-05000013703-1 | MFCD06799478 | Pru du 6 protein, Prunus | PRUNIN PROTEIN, PRUNUS | Naringenin 7-0-glucoside | AC-35062 | NARINGENIN 7-.BETA.-D-GLUCOSIDE, (-)- | Q15424791 | SCHEMBL318229 | 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-2,3-dihyd

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Producto natural de origen vegetal.

Specifications

Sinónimos

SR-05000013703-1 | MFCD06799478 | Pru du 6 protein, Prunus | PRUNIN PROTEIN, PRUNUS | Naringenin 7-0-glucoside | AC-35062 | NARINGENIN 7-.BETA.-D-GLUCOSIDE, (-)- | Q15424791 | SCHEMBL318229 | 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-2, 3-dihyd

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
• IUPAC Name: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
• InChIKey: DLIKSSGEMUFQOK-SFTVRKLSSA-N
• INCHI: 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
• Isómeros SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O
• PubChem CID: 92794
• Peso molecular: 434.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-7-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-7-O-glycosides
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavanones Phenolic glycosides Hexoses Chromones O-glycosyl compounds Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Benzene and substituted derivatives Vinylogous acids Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Flavan - Phenolic glycoside - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
• External Descriptors: flavanones

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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HepG2 (196354 Activities)

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ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

Discover Target: ABCG2

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Objetivos asociados (no humanos)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Rattus norvegicus (775804 Activities)

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Influenza A virus (11224 Activities)

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3T3-L1 (3664 Activities)

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H9c2 (3506 Activities)

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MDCK (10148 Activities)

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RAW264.7 (28094 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Sporotrichum (7 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 434.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 434.121 Da
• Monoisotopic Mass: 434.121 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 623.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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: 1

Referencias

1. Lian Yueru, Niu Liyun, Meng Zhiyun, Zhu Xiaoxia, Gu Ruolan, Wu Zhuona, Li Jian, Han Peng, Liu Taoyun, Gan Hui, Dou Guifang.  (2022)  A rapid quantitative method by liquid chromatography–tandem mass spectrometry for the measurement of anthocyanins and their metabolic characteristics in Sprague–Dawley rats.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,  248  (8): (2109-2124).  [PMID:] [10.1007/s00217-022-04034-7]

2. Ye Hangyu, Li Xiaojun, Li Luyuan, Zhang Yinjun, Zheng Jianyong.  (2022)  Homologous Expression and Characterization of α-L-rhamnosidase from Aspergillus niger for the Transformation of Flavonoids.  APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY,  194  (8): (3453-3467).  [PMID:35366188] [10.1007/s12010-022-03894-9]