5,6-Dihy-droxy-7,8-di-meth-oxy-flavone.

Abstract

A flavone compound with the molecular formula C17H14O6 was isolated from the petroleum ether-soluble fraction of the rare traditional Chinese medicinal herb Saussurea involucrata. X-ray crystallographic analysis revealed a nearly planar molecular geometry, with a dihedral angle of 1.89° between the benzopyranone ring system and the pendant phenyl group. The hydroxyl group at position 5 participates in a strong intramolecular hydrogen bond with the carbonyl oxygen, forming a six-membered ring motif. An additional intramolecular O–H···O contact was identified at the 6-hydroxy position. Within the crystal lattice, intermolecular O–H···O and C–H···O hydrogen bonds, together with π–π stacking interactions at distances of 3.37–3.39 Å, collectively establish a three-dimensional supramolecular network.