1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:10 UTC FDB020589 Bismahanine Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Bismahanine is found in herbs and spices. C46H48N2O4 692.8843 692.361408034 15-[9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-8-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,7,9,11(16),12,14-heptaen-14-ol 15-[9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11H-pyrano[3,2-a]carbazol-8-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,7,9,11(16),12,14-heptaen-14-ol 155519-87-2 CC(C)=CCCC1(C)OC2=C(C)C=C3C(NC4=CC(O)=C(C=C34)C3=C(O)C=CC4=C3NC3=C5C=CC(C)(CCC=C(C)C)OC5=C(C)C=C43)=C2C=C1 InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3 DUWZYYIUQUHQBX-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 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxyindoles Indoles Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrroles 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Benzopyran Carbazole Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrole logp 8.10 ALOGPS logs -6.84 ALOGPS solubility 1.01e-04 g/l ALOGPS logp 11.55 ChemAxon pka_strongest_acidic 8.95 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 15-[9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-8-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,7,9,11(16),12,14-heptaen-14-ol ChemAxon average_mass 692.8843 ChemAxon mono_mass 692.361408034 ChemAxon smiles CC(C)=CCCC1(C)OC2=C(C)C=C3C(NC4=CC(O)=C(C=C34)C3=C(O)C=CC4=C3NC3=C5C=CC(C)(CCC=C(C)C)OC5=C(C)C=C43)=C2C=C1 ChemAxon formula C46H48N2O4 ChemAxon inchi InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3 ChemAxon inchikey DUWZYYIUQUHQBX-UHFFFAOYSA-N ChemAxon polar_surface_area 90.5 ChemAxon refractivity 216.3 ChemAxon polarizability 84.03 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 740083 Specdb::CMs 740084 Specdb::CMs 740085 Specdb::CMs 740086 Specdb::CMs 740087 Specdb::CMs 740088 Specdb::CMs 740089 Specdb::CMs 740090 Specdb::CMs 740091 Specdb::CMs 740092 Specdb::CMs 740093 Specdb::CMs 740094 Specdb::CMs 740095 Specdb::CMs 740096 Specdb::MsMs 287602 Specdb::MsMs 287603 Specdb::MsMs 287604 Specdb::MsMs 326482 Specdb::MsMs 326483 Specdb::MsMs 326484 Specdb::MsMs 3051782 Specdb::MsMs 3051783 Specdb::MsMs 3051784 Specdb::MsMs 3114671 Specdb::MsMs 3114672 Specdb::MsMs 3114673 HMDB40773 #<Reference:0x000055ce30dfa5f8> Herbs and Spices Unknown generic