Electronic Theses and Dissertation

Salacca sumatrana Becc. merupakan salak lokal Sumatra yang informasi mengenai profil metabolit sekunder, hubungan kemotaksonomi, kandidat chemical marker, danpotensi aktivitas biologisnya masih terbatas. Penelitian ini bertujuan mengidentifikasi profil metabolit sekunder daging buah dan biji salak asal Aceh Tenggara berdasarkanGC-MS, menentukan kandidat chemical marker, menganalisis kemiripan kimiaantarsampel menggunakan NTSYS, serta memprediksi aktivitas biologis senyawamenggunakan PASS Online. Sampel diperoleh dari lima lokasi di KabupatenAcehTenggara. Daging buah dan biji diekstraksi menggunakan etanol 96%, kemudiandianalisis dengan GC-MS. Data senyawa disusun dalam matriks biner dan dianalisismenggunakan koefisien Jaccard serta metode UPGMA. Prediksi aktivitas biologisdilakukan secara in silico berdasarkan struktur SMILES dengan kriteria Pa >0,7. Hasil penelitian menunjukkan total kumulatif 537 senyawa teridentifikasi, terdiri atas 341senyawa pada daging buah dan 196 senyawa pada biji, dengan 238 senyawanonredundan. Dari hasil tersebut, diperoleh 15 kandidat metabolit sekunder yangtermasukkelompok terpenoid dan sterol, fenolik, benzenoid, alkaloid, isothiocyanate, danpiranon/lakton. Empat senyawa terdeteksi konsisten pada seluruh sampel dan berpotensi sebagai kandidat chemical marker. Kemiripan tertinggi terdapat antara Lawe HarumdanTanah Merah pada daging buah dengan koefisien sekitar 0,77, serta Lawe SekerahdanTanah Merah pada biji dengan koefisien sekitar 0,69. Prediksi PASS menunjukkanpotensi aktivitas biologis terutama terkait regulasi metabolisme hormonsteroid, pencegahan perkembangan sel abnormal atau kanker, dan penurunan kadar kolesterol.
Kata kunci: Chemical marker, GC-MS, kemotaksonomi, PASS Online, Salaccasumatrana

Salacca sumatrana Becc. is a local salak species from Sumatra with limited informationregarding its secondary metabolite profile, chemotaxonomic relationship, candidatechemical markers, and potential biological activities. This study aimed to identifythesecondary metabolite profile of fruit flesh and seeds of salak from Southeast AcehusingGC-MS, determine candidate chemical markers, analyze chemical similarity amongsamples using NTSYS, and predict the biological activities of selected compounds usingPASS Online. Samples were collected from five locations in Southeast Aceh Regency. Fruit flesh and seeds were extracted using 96% ethanol and analyzed by GC-MS. Compound data were converted into a binary matrix and analyzed using the Jaccardcoef icient and UPGMA method. Biological activity prediction was performedinsilicobased on SMILES structures using Pa > 0.7 as the selection criterion. The resultsshowed a cumulative total of 537 identified compounds, consisting of 341 compoundsinthe fruit flesh and 196 compounds in the seeds, with 238 non-redundant compounds. Among them, 15 candidate secondary metabolites were obtained, including terpenoidsand sterols, phenolics, benzenoids, alkaloids, isothiocyanate, and pyranone/lactone. Four compounds were consistently detected in all samples and were consideredpotential candidate chemical markers. The highest chemical similarity in the fruit fleshwasobserved between Lawe Harum and Tanah Merah, with a coef icient of approximately0.77, while the highest similarity in the seeds was found between Lawe SekerahandTanah Merah, with a coef icient of approximately 0.69. PASS prediction indicatedpotential biological activities, mainly related to steroid hormone metabolismregulation, prevention of abnormal cell or cancer development, and cholesterol-lowering activity. Keywords: chemical marker, chemotaxonomy, GC-MS, PASS Online, Salacca sumatrana