AUTHOR=Wang Pan , Zhao Yi-nan , Xu Rui-zhu , Zhang Xiao-wei , Sun Yi-ran , Feng Qing-mei , Li Zhong-hua , Xu Jiang-yan , Xie Zhi-shen , Zhang Zhen-qiang , E Heng-chao 

TITLE=Sesquiterpene Lactams and Lactones With Antioxidant Potentials From Atractylodes macrocephala Discovered by Molecular Networking Strategy

JOURNAL=Frontiers in Nutrition

VOLUME=9

YEAR=2022

URL=https://www.frontiersin.org/journals/nutrition/articles/10.3389/fnut.2022.865257

DOI=10.3389/fnut.2022.865257

ISSN=2296-861X

ABSTRACT=<p><italic>Atractylodes macrocephala</italic> rhizome (called Bái-zhú in China) has a long history as a functional food and herbal medicine in East Asia, especially China. Sesquiterpenoids are one of the main active compounds of <italic>Atractylodes macrocephala</italic> rhizome. This study aimed to explore the unknown sesquiterpenoids of <italic>A. macrocephala</italic> rhizome using a molecular networking strategy. Two new nitrogen-containing sesquiterpenoids, atractylenolactam A (<bold>1</bold>) and atractylenolactam B (<bold>2</bold>), and 2 new sesquiterpene lactones, 8-methoxy-atractylenolide V (<bold>6</bold>) and 15-acetoxyl atractylenolide III (<bold>7</bold>), along with 12 known analogs (<bold>3-5</bold> and <bold>8-16</bold>) were discovered and isolated. All the structures were assigned based on detailed spectroscopic analyses. The absolute configurations of <bold>1</bold>, <bold>2</bold>, <bold>6</bold>, and <bold>7</bold> were established by time-dependent density functional theory ECD (TDDFT-ECD) calculations. All these compounds had different degrees of concentration-dependent activating effects on nuclear-factor-E2-related factor-2 (Nrf2).</p>