Isolation, structural characteristics and cytotoxicity of the constitutes from Ceratocarpus arenarius L

Seventeen compounds were isolated from the aerial parts of Ceratocarpus arenarius 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 in vitro cytotoxicity of the isolates against human oesophageal squamous carcinoma KYSE-150 and KYSE-70 cell were investigated by MTT to identify Genistein (8) and 1,4-dihydroxy-2-naphthoic acid (9) 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 C. arenarius L. in antitumor treatment.