Aloeresin A - ≥97% , CAS No.74545-79-2

CAS: 74545-79-2 Cat. No.: A329557 Molecular Weight: 540.52 PubChem CID: 5317657

GRADE & PURITY ≥97%

Synonyms

AKOS040734417 | CHEBI:81333 | Aloeresin A [MI] | UNII-73899319HU | Q27155272 | 7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Aloeresin A acts as an inhibitor of α-glucosidase that can be converted to p-couramic and aloesin. α-glucosidase is a glucosidase that acts on 1,4-α bonds.

Metabolite of aloesin；α-Glucosidase inhibitor；Antioxidant. Free radical scavenger.

Specifications

Synonyms

AKOS040734417 | CHEBI:81333 | Aloeresin A [MI] | UNII-73899319HU | Q27155272 | 7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one | [(2S, 3R, 4S, 5S, 6R)-4, 5-dihydroxy-6-(hydro

Specifications & Purity

≥97%

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.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O
• IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChIKey: QACRJXSXSVUOFZ-HINKZNOMSA-N
• INCHI: 1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1
• Isomeric SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O
• PubChem CID: 5317657
• Molecular Weight: 540.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Hexoses C-glycosyl compounds Chromones Styrenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Ketones Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hexose monosaccharide - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Ketone - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: cinnamate ester

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: Soluble in DMSO, and 100% ethanol.
• Sensitivity: Light sensitive
• Refractive Index: n20D1.68 (Predicted)
• Boil Point(°C): 768.85° C at 760 mmHg (Predicted)
• Melt Point(°C): 148-150° C
• Molecular Weight: 540.500 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 540.163 Da
• Monoisotopic Mass: 540.163 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 969.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1