title: Structural identification of neopanaxadiol metabolites in rats by ultraperformance liquid chromatography/quadrupole-time-of-flight mass spectrometry.
abstract: BACKGROUND
  Neopanaxadiol (NPD) is one of the major ginsenosides in Panax ginseng C. A. Meyer (Araliaceae) that has been suggested to be a drug candidate against Alzheimer's disease. However, few data are available regarding its metabolism in rats.
  
  
  METHODS
  In this study, a method of ultraperformance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC/QTOFMS) was developed to identify major metabolites of NPD in the stomach, intestine, urine and feces of rats, with the aim of determining the main metabolic pathways of NPD in rats after oral administration.
  
  
  RESULTS
  UPLC/QTOFMS revealed two metabolites in the stomach of rats, one metabolite in the intestine and two metabolites in feces. One metabolite, named M2, was isolated and purified from rats feces, which was identified as (20S,22S)-dammar-22,25-epoxy-3β,12β,20-triol based on extensive NMR spectroscopy and mass spectrometry data. The main metabolites of NPD in rats were the products of epoxidation, dehydrogenation and hydroxylation. NPD was predominantly metabolized by 20,22-double-bond epoxidation and rearrangement to yield an expoxidation product (M2).
  
  
  CONCLUSIONS
  Based on the profiles of the metabolites, possible metabolic pathways of NPD in rats were proposed for the first time. This study provides new and available information on the metabolism of NPD, which is indispensable for further research on metabolic pathways of dammarane ginsengenins in vivo.
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.|Department of Clinical Laboratory, The Second Affiliated Hospital of Dalian Medicine University, 467 Zhongshan Road, Dalian, 116023, P.R. China.
authors.forename: Cong
authors.initials: C
authors.lastname: Geng
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Jianyuan
authors.initials: J
authors.lastname: Yin
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.|Chinese Medicine Research Center, The Affiliated Hospital to Changchun University of Chinese Medicine, 1478 Gongnong Road, Changchun, 130000, P.R. China.
authors.forename: Xiuhua
authors.initials: X
authors.lastname: Yu
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Yuxia
authors.initials: Y
authors.lastname: Yang
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Jingyan
authors.initials: J
authors.lastname: Liu
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Dandan
authors.initials: D
authors.lastname: Sun
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Fanbo
authors.initials: F
authors.lastname: Chen
authors.affiliation: College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun, 130012, P.R. China.
authors.forename: Zhonglin
authors.initials: Z
authors.lastname: Wei
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Qin
authors.initials: Q
authors.lastname: Meng
authors.affiliation: Department of Natural Products Chemistry, College of Pharmacy, Jilin University, 1266 Fujin Road, Changchun, 130021, P.R. China.
authors.forename: Jihua
authors.initials: J
authors.lastname: Liu
mesh_terms: D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D005243:Feces / Q000737:chemistry; D005753:Gastric Mucosa / Q000378:metabolism; D036145:Ginsenosides / Q000032:analysis* / Q000378:metabolism* / Q000652:urine; D007413:Intestinal Mucosa / Q000378:metabolism; D007422:Intestines / Q000737:chemistry; D005894:Panax / Q000737:chemistry; D051381:Rats; D017207:Rats, Sprague-Dawley; D053719:Tandem Mass Spectrometry / Q000379:methods
chemical_list: D036145:Ginsenosides; C000601507:dammar-20(22)-ene-3,12,25-triol