Metabolite Profiling of Different Parts of Syzygium cumini var. album and Physicochemical Testing of its Identical Compounds

Abstract

Indonesia is the second most biodiverse country in the world and is classified as a megadiverse country. Syzygium cumini is known to have various pharmacological activities, such as anti-inflammatory, antioxidant, antibacterial, antifungal, antidiarrheal, and others. This study aims to explore the metabolite profile of 70% ethanolic extract from the leaves and bark of Syzygium cumini var. album and analyze the physicochemical properties of its identical compounds. Phytochemical screening was conducted using commonly used methods, and metabolite profiling was carried out using UPLC-QToF-MS/MS. Pharmacological bioactivity and physicochemical properties of the identified compounds were analyzed using web tools such as Way2Drug, SwissADME, and ProTox II. The results showed that the ethanolic extract of Syzygium cumini var. album leaves contain 33 compounds, while the bark extract contains 26 compounds. Morin and alnusiin were identified in both samples. Based on PASS activity testing, morin exhibited Chlordecone reductase inhibitor activity and has potential for further development due to its favorable physicochemical properties and safety profile based on toxicity tests. This study demonstrates that the leaf and bark extracts of Syzygium cumini var. album contain morin and alnusiin, with morin showing potential as an effective and safe therapeutic agent as a Chlordecone reductase inhibitor.