A combinedin vitro–in silicoapproach for the discovery of novel endogenous enzymatic and ctDNA sequence of bioactive molecules from aerial and root parts ofCentaurea sulphureaas antioxidant’s agents

Abstract

Formula L1α-Pinene 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene 6654 136.23 C10H16 L2 Sabinene 4-methylidene-1-propan-2ylbicyclo[3.1.0]hexane 18818 136.23 C10H16 L3 β-pinene 6,6-dimethyl-2methylidenebicyclo[3.1.1]heptane 14896 136.23 C10H16 L4 Myrcene 7-methyl-3-methylideneocta-1,6-diene 31253 136.23 C10H16 L5 p-Cymene 1-methyl-4-propan-2-ylbenzene 7463 134.22 C10H14 L6 Limonene 1-methyl-4-prop-1-en-2-ylcyclohexene 22311 136.23 C10H16 L7 (Z)-β-ocimene (3Z)-3,7-dimethylocta-1,3,6-triene 5320250 136.23 C10H16 L8 (E)-β-ocimene (3E)-3,7-dimethylocta-1,3,6-triene 5281553 136.23 C10H16 L9 Nonanal nonanal 31289 142.24 C9H18O L10 Linalool 3,7-dimethylocta-1,6-dien-3-ol 6549 154.25 C10H18O L11 Terpinen-4-ol 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol 11230 154.25 C10H18O L12 methyl-Salicylate methyl 2-hydroxybenzoate 4133 152.15 C8H8O3 L13 Decanol decan-1-ol 8174 158.28 C10H22O