1.02010-04-08 22:10:16 UTC2018-05-28 23:38:14 UTCFDB012630SampangineAlkaloid from the stem bark of Cananga odorata (ylang ylang).1,6-Diaza-benzo(de)anthracen-7-one1,6-Diaza-benzo[de]anthracen-7-one7H-Naphtho[1,2,3,-ij][2,7]naphthyridin-7-one, 9CIC15H8N2O232.2368232.06366288810,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one116664-93-8O=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8HBWQKHOMAOVUASZ-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-azaoxoaporphinesOrganic compoundsAlkaloids and derivatives1-azaoxoaporphinesAromatic heteropolycyclic compoundsAryl ketonesAzacyclic compoundsBenzoquinolinesHeteroaromatic compoundsHydrocarbon derivativesNaphthalenesNaphthyridinesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsPyridines and derivatives1-azaoxoaporphineAromatic heteropolycyclic compoundAryl ketoneAzacycleBenzenoidBenzoquinolineDiazanaphthaleneHeteroaromatic compoundHydrocarbon derivativeKetoneNaphthaleneNaphthyridineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyridineQuinolinealkaloidlogp2.24logs-3.48solubility7.61e-02 g/lmelting_pointMp 210° dec.logp2.43pka_strongest_basic2.94iupac10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-oneaverage_mass232.2368mono_mass232.063662888smilesO=C1C2=CC=CC=C2C2=NC=CC3=C2C1=NC=C3formulaC15H8N2OinchiInChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8HinchikeyBWQKHOMAOVUASZ-UHFFFAOYSA-Npolar_surface_area42.85refractivity67.1polarizability23.88rotatable_bond_count0acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs12643Specdb::CMs135782Specdb::CMs143516Specdb::MsMs109323Specdb::MsMs109324Specdb::MsMs109325Specdb::MsMs176739Specdb::MsMs176740Specdb::MsMs176741Specdb::MsMs2773559Specdb::MsMs2773560Specdb::MsMs2773561Specdb::MsMs2905197Specdb::MsMs2905198Specdb::MsMs2905199HMDB34291#<Reference:0x00005556756264b8>