New Cytotoxic Naphthohydroquinone Dimers from <i>Rubia alata</i> Si-Meng Zhao Zhe Wang Guang-Zhi Zeng Wei-Wu Song Xiao-Qiang Chen Xiao-Nian Li Ning-Hua Tan 10.1021/ol502603f.s001 https://acs.figshare.com/articles/dataset/New_Cytotoxic_Naphthohydroquinone_Dimers_from_i_Rubia_alata_i_/2237911 Two novel naphthohydroquinone dimers with unprecedented skeletons, rubialatins A (<b>1</b>) and B (<b>2</b>), were isolated from the herbal plant <i>Rubia alata</i> together with their precursor, mollugin (<b>3</b>). The structures were elucidated on the basis of NMR spectra and crystal X-ray diffraction. Compound <b>1</b>, a racemate, was separated by chiral column chromatography, and the absolute configurations of the enantiomers were determined by the computational methods. Cytotoxicity of <b>1</b>–<b>3</b> was evaluated as well as the effect on the NF-κB pathway. Compound (+)-<b>1</b> showed cytotoxicity and could inhibit NF-κB pathway. Meanwhile, <b>2</b> showed cytotoxicity and a synergistic effect with TNF-α on NF-κB activation. 2014-11-07 00:00:00 chiral column chromatography Rubia alataTwo novel naphthohydroquinone dimers plant Rubia alata NF Compound New Cytotoxic Naphthohydroquinone Dimers TNF cytotoxicity NMR spectra pathway