Chrysin-7-O-glucuronide - ≥99% , CAS No.35775-49-6

CAS: 35775-49-6 Cat. No.: C650716 Molecular Weight: 430.36 PubChem CID: 14135335

GRADE & PURITY ≥99%

Synonyms

MFCD28009138 | Chrysin 7-O-beta-D-glucopyranuronoside | DTXSID801345726 | Chrysin-7-O- | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid | SCHEMBL21695684 | MS-27637 | (2S,3S,4S,5R,6

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis , with antioxidant activity.

Form:Solid

Specifications

Synonyms

MFCD28009138 | Chrysin 7-O-beta-D-glucopyranuronoside | DTXSID801345726 | Chrysin-7-O- | (2S, 3S, 4S, 5R, 6S)-3, 4, 5-Trihydroxy-6-((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid | SCHEMBL21695684 | MS-27637 | (2S, 3S, 4S, 5R, 6

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis , with antioxidant activity.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
• InChIKey: IDRSJGHHZXBATQ-ZFORQUDYSA-N
• INCHI: 1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
• Alternate CAS: 35775-49-6
• PubChem CID: 14135335
• Molecular Weight: 430.36

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-7-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-7-O-glucuronides
• Alternative Parents: Flavonoid-7-O-glycosides 5-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Beta hydroxy acids and derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Monosaccharides Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Acetals Polyols Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Beta-hydroxy acid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Hydroxy acid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-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

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (116.18 mM; Need ultrasonic)
• Molecular Weight: 430.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 430.09 Da
• Monoisotopic Mass: 430.09 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 717.000
• 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