Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum scabrum.

Eighteen polycyclic polyprenylated acylphloroglucinols were isolated from the whole plant of Hypericum scabrum Linn., including six new compounds (1-6). Their structures were elucidated by comprehensive spectroscopic analyses.

Monoterpenoid Glycosides from the Leaves of and Their Bioactivities.

The leaves of have been applied as Ku-Ding-Cha, a functional tea to clear heat, remove toxins, and treat obesity and diabetes, in Southwest China. The phytochemical research on the leaves of led to the isolation and identification of eight new monoterpenoid glycosides (-) and three known monoterpenoid glycosides (-). Compounds - were tested for the inhibitory activities on fatty acid synthase (FAS), -glucosidase, -amylase, and the antioxidant effects.

Spectral data of nicotabaflavonoidglycoside.

The dataset addressed in this article relates to the research article entitled"Nicotabaflavonoidglycoside, the first example of cembranoid and flavonoid heterodimer from " (Yang et al., 2018) [1]. The dataset presents the MS(879-571-421-335), MS fragment pathways, (+) HR-ESI-MS, (-) HR-ESI-MS, UV, IR, H NMR, C NMR, HSQC, H-H COSY, HMBC, ROESY, ORD and ECD data of Nicotabaflavonoidglycoside.

Nicotabaflavonoidglycoside, the first example of cembranoid and flavonoid heterodimer from Nicotiana tabacum.

Nicotabaflavonoidglycoside (1), a novel cembrane-type diterpenoid and flavonoid heterodimer had been isolated from the leaves of Nicotiana tabacum. Its structure was elucidated as (1″S, 6″S) or (1″R, 6″R)-8-[6″-((-)-(1″S, 2″E, 4″Z, 7″E, 11″E)-cembra-2″, 4″, 7″, 11″-tetraenyl)]-rutin by comprehensive analyses of the NMR and HRESIMS spectra. Its absolute configurations of C-1″ and C-6″ were assigned as (1″S, 6″S) by its biogenesis and electronic circular dichroism (ECD).

Theoretical studies on pyrimidine substituent derivatives as dual inhibitors of AP-1 and NF-kappaB.

Theoretical studies on the three-dimensional (3D) quantitative structure-activity relationship (QSAR) and mechanisms of action of a series of pyrimidine substituent derivatives as dual inhibitors of AP-1 and NF-kappaB were carried out using comparative molecular field analysis (CoMFA) and docking methods. The established 3D-QSAR model exhibits a satisfying statistical quality and prediction ability. Docking results show somewhat lower average values of the flexible and rigid energy scores in the chosen binding sites.