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CAS 77690-91-6

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5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Description:
5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, with CAS number 77690-91-6, is a complex flavonoid compound characterized by its intricate glycosylation and methoxylation patterns. This substance features multiple hydroxyl groups, contributing to its potential antioxidant properties. The presence of glucopyranosyl moieties suggests that it may exhibit enhanced solubility and bioavailability, which is often beneficial for pharmacological applications. The compound's structure indicates it may interact with various biological targets, potentially influencing cellular signaling pathways. Its methoxy and hydroxy substituents may enhance its reactivity and ability to form hydrogen bonds, which can affect its biological activity. Additionally, the compound's flavonoid backbone is known for various health benefits, including anti-inflammatory and anticancer properties. Overall, this compound represents a significant interest in the field of natural products and medicinal chemistry, warranting further investigation into its therapeutic potential.
Formula:C39H42O19
InChI:InChI=1S/C39H42O19/c1-51-21-13-22-28(19(42)12-20(55-22)17-5-7-18(41)8-6-17)33(47)29(21)37-38(35(49)31(45)25(14-40)56-37)58-39-36(50)34(48)32(46)26(57-39)15-54-27(43)9-4-16-10-23(52-2)30(44)24(11-16)53-3/h4-13,25-26,31-32,34-41,44-50H,14-15H2,1-3H3/t25-,26-,31-,32-,34+,35+,36-,37+,38-,39+/m1/s1
InChI key:InChIKey=BFWPTYMTWQBGHH-NCAIGIGUSA-N
SMILES:O([C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=C(OC)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(O)C=C4)[C@@H]5O[C@H](COC(C=CC6=CC(OC)=C(O)C(OC)=C6)=O)[C@@H](O)[C@H](O)[C@H]5O
Synonyms:
  • 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, 6′′-ester with 6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
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