Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton
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- 作者：C. Benjamin Naman ; Jie Li ; Arvin Moser ; Jeffery M. Hendrycks ; P. Ann茅cie Benatrehina ; Heebyung Chai ; Chunhua Yuan ; William J. Keller ; A. Douglas Kinghorn
- 刊名：Organic Letters
- 出版年：2015
- 出版时间：June 19, 2015
- 年：2015
- 卷：17
- 期：12
- 页码：2988-2991
- 全文大小：270K
- ISSN：1523-7052
文摘
Melanodiol 4鈥?O-protocatechuate (1) and melanodiol (2) represent novel flavonoid derivatives isolated from a botanical dietary supplement ingredient, dried black chokeberry (Aronia melanocarpa) fruit juice. These noncrystalline compounds possess an unprecedented fused pentacyclic core with two contiguous hemiketals. Due to having significant hydrogen deficiency indices, their structures were determined using computer-assisted structure elucidation software. The in vitro hydroxyl radical-scavenging and quinone reductase-inducing activity of each compound are reported, and a plausible biogenetic scheme is proposed.