A New abeo-Icetexane-Type Diterpenoid from the Stem Barks of Taxus wallichiana.

Phu Hoang Dang Nhan Trung NguyenTho Huu LeTruong Nhat Van DoMai Thanh Thi NguyenNhan Trung Nguyen

Published in: Chemistry & biodiversity (2022)

From a CH 2 Cl 2 -soluble fraction of the stem barks of Taxus wallichiana, one new abeo-icetexane-type diterpenoid, taxamairin I (1), was isolated. Its absolute configuration was elucidated based on spectroscopic interpretation and time-dependent density functional theory (TD-DFT) calculation of optical rotation. In addition, the plausible biosynthesis pathway for the formation of the new abeo-icetexane-type diterpenoid was proposed. Taxamairin I (1), at a concentration of 100 μM, did not show cytotoxicity against Hep3B human liver cancer cell lines.

Keyphrases

density functional theory
molecular dynamics
molecular docking
endothelial cells
high resolution
room temperature
monte carlo