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Updated: Mar 1, 2026

Rapid High-throughput Species Identification of Botanical Material Using Direct Analysis in Real Time High Resolution Mass Spectrometry
Published on: October 2, 2016
Withanolides from Datura stramonium: two unprecedented B-ring-seco derivatives and anti-inflammatory active analogues
Juan Pan1, Gang-Tao Bu1, Si-Yi Wang2
1"Key Laboratory of Basic and Application Research of Beiyao (Heilongjiang University of Chinese Medicine), Ministry of Education"+Traditional Chinese Medicine (TCM) Biological Genetics (Heilongjiang Province Double First-Class Construction Interdiscipline), Harbin, China.
Abstract:
UV-guided separation of the Datura stramonium L. extract led to the elucidation of thirteen previously unreported withanolides (1-13), together with nine known analogues (14-22). Compounds 1 and 2 are unprecedented withanolides featuring B-ring cleavage and bearing two formyl (-CHO) groups. The structures of the new withanolides were elucidated on the basis of UV, HRESIMS, and NMR data. The inhibitory effects of the isolated compounds on lipopolysaccharide (LPS)-induced nitric oxide (NO) production in BV2 microglial cells were evaluated. Compounds 16 and 22 exhibited potent in vitro anti-inflammatory activity with IC50 values ranging from 6.72 ± 0.08 to 7.48 ± 0.28 μM-superior to that of the positive control dexamethasone (DXMS) (IC50 = 8.04 ± 0.60 μM). These results suggest that the leaves of D. stramonium may represent a promising source of lead compounds for treating inflammation-related diseases.
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