1.0 2010-04-08 22:10:16 UTC 2018-05-28 23:38:14 UTC FDB012630 Sampangine Alkaloid from the stem bark of Cananga odorata (ylang ylang). 1,6-Diaza-benzo(de)anthracen-7-one 1,6-Diaza-benzo[de]anthracen-7-one 7H-Naphtho[1,2,3,-ij][2,7]naphthyridin-7-one, 9CI C15H8N2O 232.2368 232.063662888 10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one 10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one 116664-93-8 O=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3 InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H BWQKHOMAOVUASZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-azaoxoaporphines. These are analogues of Aporphines, where a nitrogen atom replaces the carbon atom at position 1, and a keto group at C7. 1-azaoxoaporphines Organic compounds Alkaloids and derivatives 1-azaoxoaporphines Aromatic heteropolycyclic compounds Aryl ketones Azacyclic compounds Benzoquinolines Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Naphthyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives 1-azaoxoaporphine Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Benzoquinoline Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Ketone Naphthalene Naphthyridine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Quinoline alkaloid logp 2.24 ALOGPS logs -3.48 ALOGPS solubility 7.61e-02 g/l ALOGPS melting_point Mp 210° dec. logp 2.43 ChemAxon pka_strongest_basic 2.94 ChemAxon iupac 10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one ChemAxon average_mass 232.2368 ChemAxon mono_mass 232.063662888 ChemAxon smiles O=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3 ChemAxon formula C15H8N2O ChemAxon inchi InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H ChemAxon inchikey BWQKHOMAOVUASZ-UHFFFAOYSA-N ChemAxon polar_surface_area 42.85 ChemAxon refractivity 67.1 ChemAxon polarizability 23.88 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12643 Specdb::CMs 135782 Specdb::CMs 143516 Specdb::MsMs 109323 Specdb::MsMs 109324 Specdb::MsMs 109325 Specdb::MsMs 176739 Specdb::MsMs 176740 Specdb::MsMs 176741 Specdb::MsMs 2773559 Specdb::MsMs 2773560 Specdb::MsMs 2773561 Specdb::MsMs 2905197 Specdb::MsMs 2905198 Specdb::MsMs 2905199 HMDB34291 #<Reference:0x000055ce32532270>