Mining Secondary Metabolites of Rennellia borneensis Baill. using SIRIUS and High-Resolution Mass Spectrometry Data

Rennellia borneensis Baill. (Rubiaceae), also known as Borneo ginseng, is an endemic plant species of Sabah, growing in a few surrounding Imbak Canyon Conservation Area (ICCA). The plant's roots are sought after and collected for their medicinal properties to treat various illnesses, including cancer and poisoning. It is also used for anti-ageing, vitality and as an energy booster. Nevertheless, the scientific data such as secondary metabolites and biological properties are still unknown. Understanding the chemistry and biological potential of the species is vital for substantiating the traditional usage while ensuring its sustainability. Hence, this study was designed to examine, for the first time, the secondary metabolites of the roots (dichloromethane extract) of Rennellia borneensis growing in Borneo. The annotation of the secondary metabolites was achieved by comprehensive analysis of the data-dependent acquisition (DDA) LC-MS/MS using SIRIUS. The study identified 20 compounds from distinct tandem MS data. De novo molecular formula annotations and predictions from SIRIUS suggested 4 major classes of compound classified as anthraquinones, flavonoids, isoflavonoids and triterpenoids. Based on the literature, anthraquinone plays as a marker compound from this genus. Based on our results, we advocate the MS- based approach as a useful starting method for the dereplication of compounds from the complex crude extracts of plants.

 

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Publication History

Article published online:
16 November 2023