Rapid discovery of novel anti-inflammatory triterpenoids from Alisma Orientale based on DeepSAT-molecular networking strategy.

Guided by an LC-MS/MS-based molecular networking approach combined with bioactivity-directed screening, ten previously undescribed triterpenoids (1-10), comprising nine protostane-type derivatives and one lanostane-type derivative, and fourteen known ones (11-24) were targeted and isolated from the dried rhizomes of Alisma orientale. These compounds share a conserved tetracyclic scaffold, with structural diversity primarily driven by variations in the C-17 side chain. Structural elucidation and stereochemical assignment were accomplished by combining NMR data, ECD analysis, and X-ray diffraction. Notably, compounds 4 and 12 demonstrated promising anti-inflammatory activity in LPS-stimulated RAW 264.7 macrophages.