Diverse guaiane-type sesquiterpenoids from the root of Daphne genkwa based on molecular networking |
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| Affiliation: | 1. Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China;2. School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China |
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| Abstract: | Eleven undescribed guaiane-type sesquiterpenoids, named daphnegenols A-K (1–11) and a known analog (12) were targeted for isolation from the root of Daphne genkwa by LC-MS/MS-based molecular networking. Their diverse structures were elucidated through extensive spectroscopic methods, quantum chemical calculation and X-ray single crystal diffraction, including 5/7 bicycle, 5/6/7 tricycles and 5/6/5 tricycles guaiane-type sesquiterpenoid. Daphnegenol A (1) possessed a rare six membered oxyheterocyclic ring which was constructed by oxidation and cyclization at C-1 and C-11. The anti-acetylcholinesterase and anti-neuroinflammatory activities of compounds 1–12 were measured. |
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| Keywords: | Guaiane-type sesquiterpenoids Molecular network Anti-acetylcholinesterase Anti-neuroinflammatory |
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