Comprehensive Evaluation of Fructus Tsaoko, Seeds of Tsaoko Fructus and Ginger Made Seeds of Tsaoko Fructus Based on Drug‐Like Compounds and Aroma Analysis

Crevost et Lemaire. seeds of Tsaoko Fructus (QC) and ginger made seeds of Tsaoko Fructus (JZ) are two important decoction pieces derived from CG, which are rich in various chemical constituents. In this study, untargeted metabolomics combined with principal component analysis (PCA) was employed to establish models for analyzing and evaluating the drug-likeness of CG, QC, and JZ. Meanwhile, the aroma characteristics and volatile components of these samples were analyzed using relative odor activity values (ROAVs) and quantitative descriptive analysis (QDA). GC-MS and LC-MS analyses identified 1625 and 1145 metabolites, respectively. Further screening revealed 108 metabolites with drug-like properties and 44 aroma-related compounds. The dominant drug-like components were flavonoids and heterocyclic compounds. Paozhi (traditional Chinese herbal processing) mainly affected the relative contents of flavonoids and lignans. The drug-likeness decreased in the order of CG < QC < JZ. Among the aroma components, ketones and heterocyclic compounds contributed most to the overall aroma. CG was characterized by a pungent aroma with a hint of green notes, and its key aroma components were 3-octen-2-one, cyclohexanone, 2,2,6-trimethylcyclohexanone, and (5Z)-octa-1,5-dien-3-one. QC was characterized by a roasted aroma accompanied by fatty, green, and pungent notes, with 2-methoxy-3,5-dimethylpyrazine, (5Z)-octa-1,5-dien-3-one, and 3-octen-2-one as the key aroma components. JZ was characterized by a pungent aroma with a hint of green notes, and its key aroma components were 1-nonen-3-one, cyclohexanone, 2,2,6-trimethylcyclohexanone, and 2-methoxy-3-(2-methylpropyl) pyrazine. This study provides new insights into the metabolic changes of CG, QC, and JZ, laying a theoretical foundation for their more refined utilization and high-quality processing.