A new natural Cyperol A together with five known compounds from <i>Cyperus rotundus</i> L.: isolation, structure elucidation, DFT analysis, insecticidal and enzyme-inhibition activities and <i>in silico</i> study.

ABSTRACT: One new natural benzaldehyde derivative (1), together with five known compounds, was isolated from the methanolic extract of the whole plant of Cyperus rotundus L., which is a globally distributed noxious weed. The structure of compound (1) (named Cyperol A) was determined using various NMR methods, including ¹H, ¹³C, COSY, HMBC, HSQC and NOESY, and mass spectrometric techniques, including EIMS. The newly isolated compound (1) was subjected to optimization using computer-assisted calculation via DFT methods for natural bond orbital (NBO) and frontier molecular orbital (FMO) analyses and compared with carbofuran, which is used to control the pest brown planthopper. The in vitro insecticidal efficacy of compounds 1-6 was evaluated against Nilapar

SUBMITTER: Bangash SH 

PROVIDER: S-EPMC11987592 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature