Dataset Secondary Compund from Garcinia xanthochymus

The secondary metabolite dataset was compiled from the reported primary bioactive compounds of Garcinia xanthochymus based on a comprehensive literature review. A total of approximately 99 compounds were initially identified from the published literature but only 61 compounds with structural (either 2D or 3D) data were available in PubChem. All 61 compounds were used as ligand for molecular docking analysis.本次生代谢物数据集基于全面的文献调研，整理自已报道的大叶藤黄(Garcinia xanthochymus)的主要活性化合物。研究人员最初从已发表文献中鉴定出约99种化合物，但其中仅61种化合物在PubChem中拥有二维(2D)或三维(3D)结构数据。本次研究将全部61种化合物用作分子对接分析的配体。