Chemical Composition and Bioactivity of the Essential Oil of Chromolaena odorata from Nigeria

Rec, Nat, Prod
2010 unpublished
The essential oil from the dried leaves of Chromolaena odorata (L.) R.M. King & H. Rob. was obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry (GC-MS). The major components were α-pinene (42.2%), β-pinene (10.6%), germacrene D (9.7%), β-copaen-4α-ol (9.4%), (E)-caryophyllene (5.4%), and geijerene/pregeijerene (7.5%). The oil was screened for antimicrobial activity and showed antibacterial activity against Bacillus cereus (MIC = 39 µg/mL) and antifungal activity
more » ... ainst Aspergillus niger (MIC = 78 µg/mL). DFT (B3LYP/6-31G*) and post-HF (MP2/6-311+G**) indicate that pregeijerene is less stable (0.45 and 3.99 kcal/mol, respectively) than its Cope rearrangement product geijerene.