Sensory–Chemical Co-Dynamics in Kadsura coccinea: ROAV-Driven Prioritization of Cultivar-Specific Odorants and Mechanistic Validation via Molecular Docking

This study deciphered the aroma differences in three <i>Kadsura coccinea</i> cultivars (F023, F054, F055) through integrated volatile-omics and sensory analysis. HS-SPME-GC-MS identified 49 volatiles dominated by sesquiterpenes (65.2-78.4%). ROAV prioritization revealed cultivar-specific drivers: γ-dodecalactone (ROAV = 73.0) defined F054's fruity-floral character; humulene (ROAV = 100) and β-caryophyllene shaped F023's woody-pungent profile; and β-pinene (ROAV = 100) characterized F055's herbaceous freshness. Molecular docking confirmed high-affinity binding of γ-dodecalactone to OR2W1 (ΔG = -6.42 kcal/mol via ASN155 H-bonding). Sensory PCA explained 83.48% of the variance, segregating cultivars along distinct axes (F054: sweet-aromatic; F023: woody-spicy; F055: herbaceous-fresh). Joint PCA validated γ-dodecalactone-coconut milk spatial co-localization (θ < 10°) and β-caryophyllene-woody note correlations (r > 0.9), establishing γ-dodecalactone as a breeding biomarker for aroma-driven cultivar improvement.