Table 2 13 C in Biotransformation of papaverine and in silico docking studies of the metabolites on human phosphodiesterase 10 a

Table 2 13 C NMR (100 MHz) spectroscopic data for Papaverine, metabolites 1 and 4 (in CDCl) and metabolites 2, 3, 5 and 6 (in DMSO d) a. 3 ‑ 6
PositionPapaverineδH (multiplicities, J)1234561156.9, C157.8, C157.7, C158.9, C154.0, C158.5, C156.2, C3139.0, CH139.8, CH139.7, CH140.8, CH129.5, CH140.9, CH134.8, CH4119.6, CH119.4, CH120.6, CH120.6, CH121.0, CH121.0, CH119.9, CH4a134.6, C134.1, C133.3, C131.8, C136.8, C132.9, C135.5, C5105.6, CH105.6, CH108.7, CH119.6, CH105.7, CH109.5, CH106.7, CH6150.7, C153.2, C147.2, C152.8, C156.8, C150.1, C155.20, C7149.3, C150.4, C150.9, C150.4, C152.4, C149.0, C151.5, C8104.5, CH104.7, CH104.7, CH106.1, CH104.7, CH105.3, CH105.3, CH8a122.9, C123.2, C127.8, C125.4, C122.3, C125.1, C122.4, C1′131.6, C131.1, C132.2, C131.4, C127.0, C132.7, C131.7, C2′111.3, CH111.7, CH112.7, CH112.7, CH114.2, CH113.1, CH113.7, CH3′147.9, C147.4, C149.5, C147.2, C145.0, C147.6, C149.3, C4′149.3, C144.9, C148.6, C148.6, C147.1, C147.7, C145.6, C5′112.2, CH114.9, CH111.9, CH111.9, CH112.0, CH112.3, CH115.8, CH6′120.7, CH121.4, CH117.9, CH119.0, CH121.3, CH119.1, CH121.2, CHα40.6, CH241.8, CH240.6, CH240.9, CH236.6, CH241.2, CH238.3, CH26-OMe55.9, CH356.1, CH3–55.40, CH356.7, CH3–56.7, CH37-OMe56.1, CH356.2, CH355.4, CH355.43, CH356.3, CH355.8, CH356.6 CH33′-OMe56.1, CH356.4, CH355.5, CH355.9, CH3–55.9, CH356.1, CH34′-OMe56.4, CH3–55.7, CH356.3, CH356.2, CH356.1, CH3–1′′–––––99.6, CH100.1, CH2′′–––––73.7, CH73.8, CH3′′–––––76.1, CH75.9, CH4′′–––––79.2, CH79.4, CH5′′–––––77.0, CH76.9, CH6′′–––––60.5, CH260.6, CH24′′-OMe–––––60.2, CH360.1, CH3
a Carbon multiplicity were determined by DEPTq experiment.