1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:10 UTC FDB020590 Bismurrayaquinone A Alkaloid from roots of Murraya koenigii (curryleaf tree). Bismurrayaquinone A is found in herbs and spices. 3,3'-Dimethyl-[2,2'-bi-1H-carbazole]-1,1',4,4'(9H,9'H)-tetrone, 9CI C26H16N2O4 420.4162 420.11100701 3-methyl-2-(3-methyl-1,4-dioxo-4,9-dihydro-1H-carbazol-2-yl)-4,9-dihydro-1H-carbazole-1,4-dione 3-methyl-2-(3-methyl-1,4-dioxo-9H-carbazol-2-yl)-9H-carbazole-1,4-dione 155519-86-1 CC1=C(C(=O)C2=C(C3=CC=CC=C3N2)C1=O)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O InChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3 FKJFKIPTKQPIFB-UHFFFAOYSA-N belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Carbazoles Aromatic heteropolycyclic compounds Aryl ketones Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrroles Vinylogous amides Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Carbazole Heteroaromatic compound Hydrocarbon derivative Indole Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Vinylogous amide logp 4.29 ALOGPS logs -5.45 ALOGPS solubility 1.51e-03 g/l ALOGPS logp 3.26 ChemAxon pka_strongest_acidic 9.63 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 3-methyl-2-(3-methyl-1,4-dioxo-4,9-dihydro-1H-carbazol-2-yl)-4,9-dihydro-1H-carbazole-1,4-dione ChemAxon average_mass 420.4162 ChemAxon mono_mass 420.11100701 ChemAxon smiles CC1=C(C(=O)C2=C(C3=CC=CC=C3N2)C1=O)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O ChemAxon formula C26H16N2O4 ChemAxon inchi InChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3 ChemAxon inchikey FKJFKIPTKQPIFB-UHFFFAOYSA-N ChemAxon polar_surface_area 99.86 ChemAxon refractivity 120.72 ChemAxon polarizability 45.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23862 Specdb::CMs 154947 Specdb::MsMs 318859 Specdb::MsMs 318860 Specdb::MsMs 318861 Specdb::MsMs 365794 Specdb::MsMs 365795 Specdb::MsMs 365796 Specdb::MsMs 3044983 Specdb::MsMs 3044984 Specdb::MsMs 3044985 Specdb::MsMs 3094648 Specdb::MsMs 3094649 Specdb::MsMs 3094650 HMDB40774 #<Reference:0x000055ce325e8610> Herbs and Spices Unknown generic