Water-soluble essential oil components of flowers of cultivars and analysis with antidepressant targets.

The present study focused on water-soluble essential oil recovered from the hydrolate of ten cultivars. Thirty-seven components, mostly oxygenated compounds (94.6-99.6%), were detected by gas chromatography-mass spectrometry (GC-MS) and GC-flame ionisation detector (GC-FID). The geranic acid chemotype was discovered (in cultivar 'Lan BaoShi'). Eight key oxygenated components were analysed with antidepressant targets sodium-dependent serotonin transporter (SERT), 5-hydroxytryptamine receptor 1 A (5-HT1A), and monoamine oxidase type A (MAO-A). Geraniol, nerol, citronellol, and geranic acid presented superior docking properties. Phenylethyl alcohol and 1,3,5-trimethoxybenzene were also well docked. These molecules were bound to the active sites successfully (with partial occupancy in SERT). They might increase serotonin level or mimic its effect in central nervous system. ()-3-Hexen-1-ol and 1-hexanol showed weak binding. The analysis revealed for the first time that the key water-soluble essential oil components of potentially targeted antidepressant targets.