A new α-pyrone analog, arthrifuranone A (1) was isolated from an EtOAc-extract of Arthrinium pseudosinense culture medium. The isolation workflow was guided by a Molecular Networking-based dereplication strategy. The chemical structure of the new compound was elucidated using MS and NMR spectroscopic techniques, and the absolute configuration was established by the Mosher’s method and gauge-including atomic orbital NMR chemical shift calculations, followed by DP4 + analysis. The isolated compound was evaluated for its estrogenic activity using the MCF-7 estrogen responsive human breast cancer cells. Compound 1 showed estrogenic activity by increasing the proliferation of MCF-7 cells at the concentration of 3.125 μM via phosphorylation of estrogen receptor-α.

从Arthrinium pseudosinense培养基的 EtOAc 提取物中分离出一种新的α -吡喃酮类似物 arthrifuranone A ( 1 )。隔离工作流程由基于分子网络的去复制策略指导。使用 MS 和 NMR 光谱技术阐明了新化合物的化学结构，并通过 Mosher 方法和规范建立了绝对构型，包括原子轨道 NMR 化学位移计算，然后进行 DP4 + 分析。使用 MCF-7 雌激素反应性人乳腺癌细胞评估分离化合物的雌激素活性。化合物1通过磷酸化雌激素受体-α，在 3.125 μM 浓度下增加 MCF-7 细胞的增殖，显示出雌激素活性。