title: Two New Thymol Derivatives from the Roots of Ageratina adenophora.
abstract: Two new thymol derivatives, 7,9-diisobutyryloxy-8-ethoxythymol (1) and 7-acetoxy-8-methoxy-9-isobutyryloxythymol (2), were isolated from fresh roots ofAgeratina adenophora, together with four known compounds, 7,9-di-isobutyryloxy-8-methoxythymol (3), 9-oxoageraphorone (4), (-)-isochaminic acid (5) and (1α,6α)-10-hydroxycar-3-ene-2-one (6). Their structures were established on the basis of detailed spectroscopic analysis, and they were all isolated from the roots ofA. adenophorafor the first time. All the compounds were tested for their in vitro antibacterial activity toward three Gram-positive and two Gram-negative bacterial strains. Thymol derivatives1-3only selectively showed slight in vitro bacteriostatic activity toward three Gram-positive bacteria. The two known carene-type monoterpenes5and6were found to show moderate in vitro antibacterial activity against all five tested bacterial strains, with MIC values from 15.6 to 62.5 μg/mL. In addition, compounds5and6were further revealed to show in vitro cytotoxicity against human tumor A549, HeLa and HepG2 cell lines, with IC50values ranging from 18.36 to 41.87 μM. However, their cytotoxic activities were inferior to those of reference compound adriamycin.
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. donglimei1990@163.com.|State Key Laboratory for Conservation and Utilization of Subtropical Agro-Bioresources/Guangdong Key Laboratory for Innovative Development and Utilization of Forest Plant Germplasm, College of Forestry and Landscape Architecture, South China Agricultural University, Guangzhou 510642, China. donglimei1990@163.com.|College of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049, China. donglimei1990@163.com.
authors.forename: Li-Mei
authors.initials: LM
authors.lastname: Dong
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. mzhang309@163.com.
authors.forename: Mei
authors.initials: M
authors.lastname: Zhang
authors.affiliation: Guangdong Provincial Key Laboratory of Bio-Control for the Forest Disease and Pest, Guangdong Academy of Forestry, Guangzhou 510520, China. qlxu@sinogaf.cn.
authors.forename: Qiao-Lin
authors.initials: QL
authors.lastname: Xu
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. zqiang55@126.com.|College of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049, China. zqiang55@126.com.
authors.forename: Qiang
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. bluo023@163.com.|College of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049, China. bluo023@163.com.
authors.forename: Bi
authors.initials: B
authors.lastname: Luo
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. luoyaa@foxmail.com.|College of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049, China. luoyaa@foxmail.com.
authors.forename: Qing-Wen
authors.initials: QW
authors.lastname: Luo
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. liuwenbin15@mails.ucas.ac.cn.|College of Life Sciences, University of Chinese Academy of Sciences, Beijing 100049, China. liuwenbin15@mails.ucas.ac.cn.
authors.forename: Wen-Bin
authors.initials: WB
authors.lastname: Liu
authors.affiliation: Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, China. jwtan@scbg.ac.cn.|State Key Laboratory for Conservation and Utilization of Subtropical Agro-Bioresources/Guangdong Key Laboratory for Innovative Development and Utilization of Forest Plant Germplasm, College of Forestry and Landscape Architecture, South China Agricultural University, Guangzhou 510642, China. jwtan@scbg.ac.cn.
authors.forename: Jian-Wen
authors.initials: JW
authors.lastname: Tan
mesh_terms: D036603:Ageratina / Q000737:chemistry*; D000900:Anti-Bacterial Agents / Q000737:chemistry / Q000494:pharmacology; D000972:Antineoplastic Agents, Phytogenic / Q000737:chemistry / Q000494:pharmacology; D001419:Bacteria / Q000187:drug effects; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D006801:Humans; D020128:Inhibitory Concentration 50; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D015394:Molecular Structure; D010936:Plant Extracts / Q000737:chemistry*; D018517:Plant Roots / Q000737:chemistry*; D013943:Thymol / Q000031:analogs & derivatives* / Q000737:chemistry*
chemical_list: D000900:Anti-Bacterial Agents; D000972:Antineoplastic Agents, Phytogenic; D010936:Plant Extracts; D013943:Thymol
keywords: Ageratina adenophora; antibacterial; cytotoxicity; monoterpenes; thymol derivatives