Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one

Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one

The structure of the isoflavone compound, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one (<b>5</b>), was elucidated by 2D-NMR spectra, mass spectrum and single crystal X-ray crystallography. Compound <b>5</b>, C<sub>19</sub>H<sub>16&l...

Full description

Bibliographic Details
Main Authors: Soon Young Shin, Young Han Lee, Yoongho Lim, Ha Jin Lee, Ji Hye Lee, Miri Yoo, Seunghyun Ahn, Dongsoo Koh
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Crystals
Subjects:
disordered crystal structure
hydrogen bonding
in silico docking
Hirshfeld surface
NF-κB signaling
IKKβ inhibitor
Online Access:https://www.mdpi.com/2073-4352/10/10/911

Internet

https://www.mdpi.com/2073-4352/10/10/911

Similar Items