The identification of alkaloids from the stems of Picrasma quassioides via computer-assisted structure elucidation and quantum chemical calculations

Abstract

Four new alkaloids (1-4) and one known alkaloid were isolated from the stems of Picrasma quassioides. The structures of these isolated compounds were elucidated by spectroscopic analyses, a combination of computer-assisted structure elucidation software (ACD/Structure Elucidator) and gauge-including atomic orbital (GIAO) calculation of 1 D NMR data. All compounds were evaluated for their cytotoxic activities against hepatocellular carcinoma HepG2 and Hep3B cells. However, they did not show obvious inhibitory activities.

Graphical Abstract

Keywords:

• Simaroubaceae
• Picrasma quassioides
• alkaloids
• ACD/Structure Elucidator
• NMR calculations

Acknowledgments

We kindly thank Miss Wen Li, Mr Chao Huang, Miss Li-Li Lou of Shenyang Pharmaceutical University for recording the NMR spectra.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This project was financially supported by the National Nature Science Foundation (81872767) of China, the Career Development Support Plan for Young and Middle-Aged Teachers in Shenyang Pharmaceutical University (ZQN2018006), and the Project of Innovation Team (LT2015027) of Liaoning of China.