CAS 82628-84-0

1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone

Description:

1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone, with the CAS number 82628-84-0, is a chemical compound that features a complex structure combining a glucopyranosyl moiety with a phenolic component and a nitrophenyl group. This compound is characterized by its glycosidic linkage, which enhances its solubility in water and biological relevance. The presence of multiple hydroxyl groups contributes to its potential antioxidant properties, while the nitrophenyl group may impart unique electronic characteristics, influencing its reactivity and interaction with biological systems. The compound's structure suggests potential applications in pharmaceuticals, particularly in drug design and development, due to its ability to interact with various biological targets. Additionally, its unique combination of functional groups may allow for further modifications, enhancing its efficacy or specificity in therapeutic applications. Overall, this compound exemplifies the intersection of carbohydrate chemistry and medicinal chemistry, highlighting the importance of structural diversity in developing new bioactive molecules.

Formula: C₂₁H₂₃NO₁₁

InChI: InChI=1S/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

InChI key: InChIKey=UZMKMTNQYIJXTD-QNDFHXLGSA-N

SMILES: C(CCC1=CC=C(N(=O)=O)C=C1)(=O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2O

Synonyms:

• 1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone
• 1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-