5,7-Dihydr-oxy-3,6,8-trimethoxy-flavone.

Area of Science:

• Natural Product Chemistry
• Crystallography
• Organic Chemistry

Background:

• Flavonoids are a diverse class of plant secondary metabolites with various biological activities.
• Ainsliaea henryi is a plant species from which novel compounds can be isolated.
• Understanding the structure of isolated compounds is crucial for further research.

Purpose of the Study:

• To isolate and characterize the flavone 5,7-dihydroxy-3,6,8-trimethoxy-4H-chromen-4-one from Ainsliaea henryi.
• To determine the crystal structure of the isolated flavone.
• To investigate intermolecular interactions within the crystal.

Main Methods:

• Isolation of the compound using chromatographic techniques.
• Structure elucidation using spectroscopic methods (e.g., NMR, Mass Spectrometry).
• Single-crystal X-ray diffraction analysis to determine the crystal structure.

Main Results:

• The flavone 5,7-dihydroxy-3,6,8-trimethoxy-4H-chromen-4-one was successfully isolated.
• The crystal structure revealed two molecules in the asymmetric unit, with one exhibiting a disordered methoxy group.
• Intra-molecular O-H⋯O hydrogen bonds were observed within each molecule.
• Intermolecular O-H⋯O hydrogen bonds formed chains parallel to the [110] direction in the crystal.

Conclusions:

• The study provides the first crystallographic data for 5,7-dihydroxy-3,6,8-trimethoxy-4H-chromen-4-one.
• The structural analysis offers insights into the solid-state behavior and intermolecular interactions of this flavone.
• This characterization contributes to the phytochemical knowledge of Ainsliaea henryi.