Evidence-Based Complementary and Alternative Medicine / 2023 / Article / Tab 2 / Research Article
Systematically Investigating the Pharmacological Mechanism of Momordica grosvenori in the Treatment of Spinal Cord Injury by Network Pharmacology and Experimental Verification Table 2 Pharmacokinetic parameters of candidate active compounds in Momordica grosvenori .
Drug ID Molecule name SMILES OB (%) DL (%) M01 Beta-sitosterol CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 36.91 0.75 M02 Kaempferol C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 41.88 0.24 M03 Mandenol CCCCCC=CCC=CCCCCCCCC(=O)OCC 42 0.19 M04 Supraene CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C 33.55 0.42 M05 ZINC03860434 No result 43.59 0.35 M06 Perlolyrine C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO 65.95 0.27 M07 Flazin C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O 94.28 0.39 M08 11-Oxomogroside IIA1 CC(CCC(C(C) (C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3CCC4(C3(CC(=O)C5(C4CC=C6C5CCC(C6(C)C)O)C)C)C 37.63 0.22 M09 11-Oxomogroside IIE No result 32.77 0.21 M10 (S)-2-Methylbutyl-4-(4-decyloxybenzylideneamino) CCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC 45.01 0.71 M11 Mogroester No result 41.69 0.31
Oral bioavailability (OB) > 30 and drug-like properties (DL) > 0.18.