1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:11 UTC FDB020602 Zanthobisquinolone Alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Zanthobisquinolone is found in herbs and spices and fruits. 2(1H)-Quinolinone, 3,3'-methylenebis[4-hydroxy-1-methyl- 3,3'-Methylenebis[4-hydroxy-1-methyl-2(1H)-quinolinone C21H18N2O4 362.3786 362.126657074 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1-methylquinolin-2-one 57147-67-8 CN1C(=O)C(CC2=C(O)C3=CC=CC=C3N(C)C2=O)=C(O)C2=CC=CC=C12 InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3 JCLGYGPWVWEPSU-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyquinolines. Hydroxyquinolines are compounds containing a quinoline moiety bearing a hydroxyl group. Hydroxyquinolines Organic compounds Organoheterocyclic compounds Quinolines and derivatives Hydroxyquinolines Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Hydroxypyridines Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinones Vinylogous acids Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Dihydroquinolone Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Hydroxyquinoline Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridinone Vinylogous acid logp 1.23 ALOGPS logs -3.71 ALOGPS solubility 7.04e-02 g/l ALOGPS melting_point Mp 295-298° logp 1.3 ChemAxon pka_strongest_acidic 6.74 ChemAxon pka_strongest_basic -0.68 ChemAxon iupac 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one ChemAxon average_mass 362.3786 ChemAxon mono_mass 362.126657074 ChemAxon smiles CN1C(=O)C(CC2=C(O)C3=CC=CC=C3N(C)C2=O)=C(O)C2=CC=CC=C12 ChemAxon formula C21H18N2O4 ChemAxon inchi InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3 ChemAxon inchikey JCLGYGPWVWEPSU-UHFFFAOYSA-N ChemAxon polar_surface_area 81.08 ChemAxon refractivity 102.89 ChemAxon polarizability 37.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23727 Specdb::CMs 46965 Specdb::CMs 156024 Specdb::MsMs 318592 Specdb::MsMs 318593 Specdb::MsMs 318594 Specdb::MsMs 365401 Specdb::MsMs 365402 Specdb::MsMs 365403 Specdb::MsMs 2692112 Specdb::MsMs 2692113 Specdb::MsMs 2692114 Specdb::MsMs 2989853 Specdb::MsMs 2989854 Specdb::MsMs 2989855 HMDB40786 #<Reference:0x000055ce3258e1b0> Fruits Unknown generic Herbs and Spices Unknown generic