Isorhamnetin-3-O-glucoside - ≥99% , CAS No.5041-82-7

CAS: 5041-82-7 Cat. No.: I651810 Molecular Weight: 478.40 EC Number: 805-332-7 PubChem CID: 5318645

GRADE & PURITY ≥99%

Synonyms

AS-82867 | 3-Glucosylisorhamnetin | DTXCID3026988 | NCGC00163573-01 | 3EE68A29TN | Isorhamnetin-3-O-galactoside | ISORHAMNETIN-3-O-GLUCOSIDE (CONSTITUENT OF GINKGO) [DSC] | ISORHAMNETIN 3-O-.BETA.-D-GLUCOPYRANOSIDE | 3,4',5,7-TETRAHYDROXY-3'-METHOXYFLAVON

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion.

Form:Solid

Specifications

Synonyms

AS-82867 | 3-Glucosylisorhamnetin | DTXCID3026988 | NCGC00163573-01 | 3EE68A29TN | Isorhamnetin-3-O-galactoside | ISORHAMNETIN-3-O-GLUCOSIDE (CONSTITUENT OF GINKGO) [DSC] | ISORHAMNETIN 3-O-.BETA.-D-GLUCOPYRANOSIDE | 3, 4', 5, 7-TETRAHYDROXY-3'-METHOXYFLAVON

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• InChIKey: CQLRUIIRRZYHHS-LFXZADKFSA-N
• INCHI: 1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• Alternate CAS: 1085711-35-8,5041-82-7
• PubChem CID: 5318645
• MeSH Entry Terms: isorhamnetin 3-O-beta-D-glucopyranoside;isorhamnetin 3-O-glucoside;isorhamnetin-3-Glu
• Molecular Weight: 478.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-3-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-3-O-glycosides
• Alternative Parents: 3'-O-methylated flavonoids 7-hydroxyflavonoids Flavones 5-hydroxyflavonoids 4'-hydroxyflavonoids Hexoses Chromones O-glycosyl compounds Methoxyphenols Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Methoxyphenol - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
• External Descriptors: beta-D-glucoside - monosaccharide derivative - monomethoxyflavone - glycosyloxyflavone - trihydroxyflavone

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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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EPHX2 Tchem Epoxide hydratase (3844 Activities)

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Monocyte (474 Activities)

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Associated Targets(non-human)

RAW264.7 (28094 Activities)

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C2C12 (756 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (522.58 mM; Need ultrasonic)
• Molecular Weight: 478.400 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 478.111 Da
• Monoisotopic Mass: 478.111 Da
• Topological Polar Surface Area: 196.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 773.000
• 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