Hansen Poul Erik
Department of Science and Environment, Roskilde University, Universitetsvej 1, DK-4000 Roskilde, Denmark.
Pharmaceuticals (Basel). 2021 Nov 20;14(11):1189. doi: 10.3390/ph14111189.
The paper briefly summarizes methods to determine the structure of β-diketones with emphasis on NMR methods. Density functional calculations are also briefly treated. Emphasis is on the tautomeric equilibria of β-diketones in relation to biological effects. Relevant physical parameters such as acidity and solubility are treated. A series of biologically active molecules are treated with respect to structure (tautomerism). Characteristic molecules or groups of molecules are usnic acids, tetramic and tetronic acids, -hydroxydibenzoylmethanes, curcumines, lupulones, and hyperforines.
本文简要总结了确定β-二酮结构的方法，重点是核磁共振方法。同时也简要介绍了密度泛函计算。重点讨论了β-二酮的互变异构平衡及其与生物效应的关系。还讨论了相关的物理参数，如酸度和溶解度。对一系列具有生物活性的分子的结构（互变异构）进行了探讨。具有代表性的分子或分子基团有扁枝衣酸、四胺酸和四酮酸、β-羟基二苯甲酰甲烷、姜黄素、蛇麻酮和贯叶连翘素。
