Isolation, structural characteristics and cytotoxicity of the constitutes from <i>Ceratocarpus arenarius</i> L

Seventeen compounds were isolated from the aerial parts of <i>Ceratocarpus arenarius</i> L., including 1 previously undescribed xanthone and 6 firstly isolated compounds. The structures of compounds were identified by Mass spectrometry and NMR spectroscopy. In addition, the <i>in vitro</i> cytotoxicity of the isolates against human oesophageal squamous carcinoma KYSE-150 and KYSE-70 cell were investigated by MTT to identify Genistein (<b>8</b>) and 1,4-dihydroxy-2-naphthoic acid (<b>9</b>) as the most effective compounds, which could exhibit anti-proliferation activity with IC₅₀ values of 39.11 μg/mL and 5.71 μg/mL against KYSE-150, 34.07 μg/mL and 4.51 μg/mL KYSE-70, respectively. Swiss target prediction and Molecular docking were applied to reveal the action mechanism of the effective compounds and provide guidance for the potential use of the <i>C. arenarius</i> L. in antitumor treatment.