Discovery, Characterization, and Anti-XOD Activity of Calcium Metallophore from .

In this work, coixalkyne A (), a natural polynuclear calcium complex with a novel cross-shaped molecular architecture, was isolated from L. along with the undescribed analogue coixalkyne B (). Their structures were identified by means of NMR spectroscopy, ECD calculations, and single-crystal X-ray diffraction. It is noteworthy that the calcium ligands of as well as compound possess rare terminal alkynes and a -carbon sesquiterpene (C14) framework. The antihyperuricemic activity of and xanthine oxidase (XOD) inhibitory effects of - were elucidated by and assays, while the possible mechanism of action was suggested by molecular docking. Different from the reported chemical synthesis and protein calcium carriers, the discovery of compounds and provided new proof for the natural calcium metallophore in plants with xanthine oxidase inhibitory activity.