Inubritantrimers A-D: Trimerized Sesquiterpenoid [4 + 2] Adducts Featuring a Distinctive Spiro-Polycyclic Scaffold from Inula britannica

J Org Chem. 2024 Apr 5;89(7):5029-5037. doi: 10.1021/acs.joc.4c00248. Epub 2024 Mar 26.

Abstract

Inubritantrimer A (1), a trace trimerized sesquiterpenoid [4 + 2] adduct featuring an unusual exo-exo type spiro-polycyclic scaffold, together with three new endo-exo [4 + 2] adducts, inubritantrimers B-D (2-4), were discovered from the flowers of Inula britannica. Their structures were elucidated using 1D/2D NMR, X-ray diffraction, and ECD approaches. 1 is characterized as a novel exo-exo trimer, synthesized biogenetically from three sesquiterpenoid monomers, featuring a unique linkage of C-11/C-1', C-13/C-3' and C-13'/C-3″, C-11'/C-1″ through a two-step exo [4 + 2] cycloaddition process. Compounds 1-4 exhibited modest cytotoxicity against breast cancer cells with IC50 values in the range of 5.84-12.01 μM.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Inula* / chemistry
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Sesquiterpenes* / chemistry
  • Sesquiterpenes* / pharmacology

Substances

  • Sesquiterpenes