Thermal Isomerization of Cannabinoid Analogues

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• 作者：Angie Garcia ; Dan Borchardt ; Chia-En A. Chang ; Michael J. Marsella
• 刊名：Journal of the American Chemical Society
• 出版年：2009
• 出版时间：November 25, 2009
• 年：2009
• 卷：131
• 期：46
• 页码：16640-16641
• 全文大小：135K
• 年卷期：v.131,no.46(November 25, 2009)
• ISSN：1520-5126

文摘

Thermal isomerization of CBC_an to THC_an [nonaromatic analogues of plant cannabinoids cannabichromene (CBC) and Δ¹-tetrahydrocannabinol (THC), respectively] is predicted in silico and demonstrated experimentally. Density functional theory calculations support a similar isomerization mechanism for the corresponding plant cannabinoids. Docking studies suggest that THC_an, although nonaromatic, has a CB₁ receptor binding affinity similar to that of natural THC.