Dentatacid A: An Unprecedented 2, 3-<i>Seco</i>-arbor-2, 3-dioic Triterpenoid from the Invasive Plant <i>Euphorbia dentata</i>, with Cytotoxicity Effect on Colon Cancer.

Abstract

<i>Euphorbia dentata</i> Michx. is an invasive plant species in China, known for its toxicity and potential to reduce crop yields, posing numerous threats. To gain a deeper understanding of this invasive plant, phytochemical methods were employed to isolate 13 terpenoids (<b>1</b>-<b>11</b>, <b>19</b>, <b>20</b>) and 7 sterols (<b>12</b>-<b>18</b>) from the ethanol extract of <i>E. dentata</i>, identifying one new compound and 19 known compounds. Within spectroscopic methods such as NMR, HR-ESI-MS, and ECD, the structures and absolute configurations of these compounds were established. Among them, dentatacid A (<b>11</b>) possesses an unprecedented 2, 3-<i>seco</i>-arbor-2, 3-dioic skeleton within the potential biosynthetic pathway proposed. Dentatacid A also exhibited excellent anti-proliferative activity against the HT-29 (human colorectal adenocarcinoma) cell line, with an IC₅₀ value of 2.64 ± 0.78 μM, which was further confirmed through network pharmacology and molecular docking. This study significantly expands the chemical diversity of <i>E. dentata</i> and offers new insights into the resource utilization and management of this invasive plant from the perspective of natural product discovery.