Vitexin-2-O-rhamnoside - analytical standard, ≥98% , CAS No.64820-99-1

CAS: 64820-99-1 Cat. No.: V118249 Peso molecular: 578.52 Número EC: 613-695-6 PubChem CID: 5282151

GRADE & PURITY Analytical standard, ≥98%

Synonyms

2''-O-Rhamnosylvitexin | 2-O-Rhamnosylvitexin | NCGC00169526-01 | Vitexin-2''-O-rhamnoside | Vitexin-2'-O-rhamnoside | Vitexin-2-O-rhamnoside | Vitexin-2''-rhamnoside | GLXC-13461 | 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2''-O-Rhamnosylvitexin | 2-O-Rhamnosylvitexin | NCGC00169526-01 | Vitexin-2''-O-rhamnoside | Vitexin-2'-O-rhamnoside | Vitexin-2-O-rhamnoside | Vitexin-2''-rhamnoside | GLXC-13461 | 8-[(2S, 3R, 4S, 5S, 6R)-4, 5-dihydroxy-6-(hydroxymethyl)-3-[(2S, 3R, 4R, 5R, 6S)-3

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
• IUPAC Name: 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
• InChIKey: LYGPBZVKGHHTIE-HUBYJIGHSA-N
• INCHI: 1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
• Isómeros SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
• WGK Alemania: 3
• PubChem CID: 5282151
• Peso molecular: 578.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid C-glycosides
          • Level6 Flavonoid 8-C-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid C-glycosides
• Direct Parent: Flavonoid 8-C-glycosides
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenolic glycosides C-glycosyl compounds Chromones Disaccharides O-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Benzene and substituted derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Dialkyl ethers Oxacyclic compounds Acetals Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-8-c-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - C-glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonoid 8-c-glycosides. These are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.
• External Descriptors: flavones - Flavones and Flavonols

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

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

MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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

Discover Target: ABCG2

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: moisture sensitive
• Peso molecular: 578.500 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 578.164 Da
• Monoisotopic Mass: 578.164 Da
• Topological Polar Surface Area: 236.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 954.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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