Seven new β-caryophyllene derivatives, pestalotiphains A-G (-), along with six known analogues (-), were isolated from the plant-associated . Compound represents the first example of a caryophyllene-adenine hybrid, and contains a novel oxatricyclo[4.3.1.0] system. Their structures and absolute configurations were assigned by interpretation of a combination of spectroscopic data and electronic circular dichroism calculations. Compound exhibited moderate inhibition of HL-60 and THP-1 cell lines (IC, 6.2 and 2.0 μM, respectively). A candidate biosynthetic gene cluster responsible for these compounds was uncovered by bioinformatics analyses and confirmed by a biochemical approach.
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