Identification of SVM-based classification model, synthesis and evaluation of prenylated flavonoids as vasorelaxant agents was written by Dong, Xiaowu;Liu, Yujie;Yan, Jingying;Jiang, Chaoyi;Chen, Jing;Liu, Tao;Hu, Yongzhou. And the article was included in Bioorganic & Medicinal Chemistry in 2008.Computed Properties of C17H15NO5 The following contents are mentioned in the article:
Support vector machine (SVM) was applied to predict vasorelaxation effect of different structural mols. A good classification model had been established, and the accuracy in prediction for the training, test, and overall datasets was 93.0%, 82.6%, and 89.5%, resp. Furthermore, the model was used to predict the activity of a series of prenylated flavonoids. According to the estimated result, eleven mols. 1-11 were selected and synthesized. Their vasodilatory activities were determined exptl. in rat aorta rings that were pretreated with phenylephrine (PE). Structure-activity relationship (SAR) anal. revealed that flavanone derivatives showed the most potent activities, while flavone and chalcone derivatives exhibited medium activities. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Computed Properties of C17H15NO5).
4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C17H15NO5
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics