1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:11 UTC FDB020605 Bikoeniquinone A Alkaloid from roots of Murraya koenigii (curryleaf tree) (Rutaceae). Bikoeniquinone A is found in herbs and spices. 1'-Methoxy-3,3'-dimethyl-[2,4'-bi-9H-carbazole]-1,4-dione, 9CI C27H20N2O3 420.4593 420.147392516 2-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-4,9-dihydro-1H-carbazole-1,4-dione 2-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-9H-carbazole-1,4-dione 155519-84-9 COC1=C2NC3=CC=CC=C3C2=C(C(C)=C1)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,28-29H,1-3H3 WNIJCVSAQYOBMV-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 Alkyl aryl ethers Anisoles Aryl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Indoles Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrroles Vinylogous amides Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Carbazole Ether Heteroaromatic compound Hydrocarbon derivative Indole Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Vinylogous amide logp 4.82 ALOGPS logs -5.90 ALOGPS solubility 5.28e-04 g/l ALOGPS logp 5.05 ChemAxon pka_strongest_acidic 9.94 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-4,9-dihydro-1H-carbazole-1,4-dione ChemAxon average_mass 420.4593 ChemAxon mono_mass 420.147392516 ChemAxon smiles COC1=C2NC3=CC=CC=C3C2=C(C(C)=C1)C1=C(C)C(=O)C2=C(NC3=CC=CC=C23)C1=O ChemAxon formula C27H20N2O3 ChemAxon inchi InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,28-29H,1-3H3 ChemAxon inchikey WNIJCVSAQYOBMV-UHFFFAOYSA-N ChemAxon polar_surface_area 74.95 ChemAxon refractivity 124.88 ChemAxon polarizability 46.23 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18651 Specdb::CMs 157289 Specdb::MsMs 307399 Specdb::MsMs 307400 Specdb::MsMs 307401 Specdb::MsMs 351337 Specdb::MsMs 351338 Specdb::MsMs 351339 Specdb::MsMs 2808332 Specdb::MsMs 2808333 Specdb::MsMs 2808334 Specdb::MsMs 2897847 Specdb::MsMs 2897848 Specdb::MsMs 2897849 HMDB40789 #<Reference:0x000055ce330e25c0> Herbs and Spices Unknown generic