1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:41 UTC FDB011892 Marcanine A Alkaloid from Annona glabra (pond apple). Marcanine A is found in alcoholic beverages and fruits. 4-Methyl-1H-1-aza-2,9,10-anthracenetrione 4-Methylbenzo[g]quinoline-2,5,10(1H)-trione, 9CI Griffiazanone B C14H9NO3 239.2262 239.058243159 4-methyl-1H,2H,5H,10H-benzo[g]quinoline-2,5,10-trione marcanin A 157463-84-8 CC1=CC(=O)NC2=C1C(=O)C1=C(C=CC=C1)C2=O InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16) GYAHTYNHCVTZOK-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoquinolines. These are organic compounds containing a benzene fused to a quinoline ring system. Benzoquinolines Organic compounds Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Aromatic heteropolycyclic compounds Aryl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Methylpyridines Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridinones Quinoline quinones Vinylogous amides Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Benzoquinoline Heteroaromatic compound Hydrocarbon derivative Ketone Lactam Methylpyridine Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridinone Quinoline quinone Vinylogous amide logp 1.78 ALOGPS logs -3.03 ALOGPS solubility 2.22e-01 g/l ALOGPS melting_point Mp 249-251° logp 0.86 ChemAxon pka_strongest_acidic 8.42 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-methyl-1H,2H,5H,10H-benzo[g]quinoline-2,5,10-trione ChemAxon average_mass 239.2262 ChemAxon mono_mass 239.058243159 ChemAxon smiles CC1=CC(=O)NC2=C1C(=O)C1=C(C=CC=C1)C2=O ChemAxon formula C14H9NO3 ChemAxon inchi InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16) ChemAxon inchikey GYAHTYNHCVTZOK-UHFFFAOYSA-N ChemAxon polar_surface_area 63.24 ChemAxon refractivity 67.21 ChemAxon polarizability 23.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25438 Specdb::CMs 153200 Specdb::MsMs 57786 Specdb::MsMs 57787 Specdb::MsMs 57788 Specdb::MsMs 113559 Specdb::MsMs 113560 Specdb::MsMs 113561 Specdb::MsMs 2668981 Specdb::MsMs 2668982 Specdb::MsMs 2668983 Specdb::MsMs 3013742 Specdb::MsMs 3013743 Specdb::MsMs 3013744 HMDB33757 #<Reference:0x000055ce3051cf58> Alcoholic beverages Unknown generic Fruits Unknown generic