Hibifolin - ≥98% , CAS No.55366-56-8

CAS: 55366-56-8 Cat. No.: H412646 Molecular Weight: 494.4 EC Number: 111-698-2

GRADE & PURITY ≥98%

Synonyms

E87148 | (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-8-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID | MS-29172 | (2S,3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Hibifolin Hibifolin, a flavonol glycoside, prevents beta-amyloid-induced neurotoxicity in vitro.

Specifications

Synonyms

E87148 | (2S, 3S, 4S, 5R, 6S)-6-[2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-4-oxochromen-8-yl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid | 2-(3, 4-DIHYDROXYPHENYL)-3, 5, 7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-8-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID | MS-29172 | (2S, 3

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Hibifolin, a flavonol glycoside, prevents beta-amyloid-induced neurotoxicity in vitro.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChIKey: KHVMAMXQPVHXTJ-ORYXKJSJSA-N
• INCHI: 1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
• Molecular Weight: 494.4
• Reaxy-Rn: 42213013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42213013&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid O-glucuronides
            • Level7 Flavonoid-8-O-glucuronides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides - Flavonoid O-glucuronides
• Direct Parent: Flavonoid-8-O-glucuronides
• Alternative Parents: Flavonoid-8-O-glycosides Flavonols 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Catechols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Oxanes Benzene and substituted derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 3-hydroxyflavone - Hydroxyflavonoid - Flavone - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensitivity: Light sensitive
• Molecular Weight: 494.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 494.07 Da
• Monoisotopic Mass: 494.07 Da
• Topological Polar Surface Area: 244.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 861.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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