Novel Cytotoxic Sesquiterpene Ester Derivatives from the Roots of Ferula mervynii

Abstract This study is the first chemical investigation of Ferula mervynii M. Sağıroğlu & H. Duman, an endemic species to Eastern Anatolia. The isolations of nine compounds including six previously undescribed sesquiterpene esters, 8‐ trans‐ cinnamoyltovarol ( 1 ), 8‐ trans‐ cinnamoylantakyatriol ( 3 ), 6‐acetyl‐8‐ trans‐ cinnamoyl‐3‐ epi‐ antakyatriol ( 5 ), 6‐acetyl‐8‐ trans‐ cinnamoylshiromodiol ( 6 ), 6‐acetyl‐8‐ trans‐ cinnamoylfermedurone ( 7 ), and 6‐acetyl‐8‐ trans‐ cinnamoyl‐(1 S ),2‐epoxyfermedurone ( 8 ), were described along with three known sesquiterpene esters, 6‐acetyl‐8‐benzoyltovarol ( 2 ), 6‐acetyl‐8‐ trans‐ cinnamoylantakyatriol ( 4 ), and ferutinin ( 9 ). The structures of novel compounds were elucidated through extensive spectroscopic analyses and quantum chemistry calculations. The putative biosynthetic pathways for compounds 7 and 8 were discussed. The extracts and isolated compounds were tested for cytotoxic activity against the COLO 205, K‐562, MCF‐7 cancer cell lines, and Human Umbilical Vein Endothelial Cell (HUVEC) lines using MTT assay. Compound 4 showed the highest activity against the MCF‐7 cell lines with an IC 50 value of 16.74±0.21 μM.