Peganutonin A: Computationally Informed Synthesis of Its Revised Structure.

IF 3.3 2区生物学 Q2 CHEMISTRY, MEDICINAL

Journal of Natural Products Pub Date : 2025-05-23 Epub Date: 2025-04-25 DOI:10.1021/acs.jnatprod.5c00322

N Sathya Sai Saranya, Rahul Choudhury, Prathmesh R Supekar, Srinivas Beduru, Craig M Williams, Mikhail E Elyashberg, Andrei G Kutateladze, Roderick W Bates, D Srinivasa Reddy

引用次数: 0

Abstract

The structure of the recently isolated natural product peganutonin A was shown to be incorrect by analysis of the reported spectroscopic data, and therefore, the structure was reassigned utilizing computational methods. Subsequently, the computationally proposed reassignment was confirmed by total synthesis, which was achieved in seven steps from 6-methoxyindole. It is assumed that peganutonin A is not a natural product but an artifact arising from photooxidation of the alkaloid harmaline.

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聚脲素A：其修正结构的计算信息合成。

最近分离的天然产物peganutonin A的光谱数据分析表明其结构不正确，因此，利用计算方法对其结构进行了重新分配。随后，通过6-甲氧基吲哚的全合成，通过7步完成了计算提出的重配。据推测，peganutonin A不是天然产物，而是由生物碱盐碱光氧化产生的人工产物。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Natural Products 生物-药学

CiteScore

9.10

自引率

5.90%

发文量

294

审稿时长

2.3 months

期刊介绍： The Journal of Natural Products invites and publishes papers that make substantial and scholarly contributions to the area of natural products research. Contributions may relate to the chemistry and/or biochemistry of naturally occurring compounds or the biology of living systems from which they are obtained. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin. When new compounds are reported, manuscripts describing their biological activity are much preferred. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin.