1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:39 UTC FDB012377 Murrayacine Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayacine is found in herbs and spices. 3,11-Dihydro-3,3-dimethylpyrano[3,2-a]carbazole-5-carboxaldehyde, 9CI indole derivative, 22 C18H15NO2 277.3172 277.110278729 3,3-dimethyl-3H,11H-pyrano[3,2-a]carbazole-5-carbaldehyde 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde 27300-29-4 CC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1 InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3 UBTAPPWQYRWQOH-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl-aldehydes Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrroles 1-benzopyran 2,2-dimethyl-1-benzopyran Aldehyde Alkyl aryl ether Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Benzenoid Benzopyran Carbazole Ether Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrole logp 4.27 ALOGPS logs -5.26 ALOGPS solubility 1.51e-03 g/l ALOGPS melting_point Mp 244-245° logp 3.7 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -5 ChemAxon iupac 3,3-dimethyl-3H,11H-pyrano[3,2-a]carbazole-5-carbaldehyde ChemAxon average_mass 277.3172 ChemAxon mono_mass 277.110278729 ChemAxon smiles CC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1 ChemAxon formula C18H15NO2 ChemAxon inchi InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3 ChemAxon inchikey UBTAPPWQYRWQOH-UHFFFAOYSA-N ChemAxon polar_surface_area 42.09 ChemAxon refractivity 84.45 ChemAxon polarizability 30.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18116 Specdb::CMs 146916 Specdb::MsMs 85095 Specdb::MsMs 85096 Specdb::MsMs 85097 Specdb::MsMs 147108 Specdb::MsMs 147109 Specdb::MsMs 147110 Specdb::MsMs 2318822 Specdb::MsMs 2318823 Specdb::MsMs 2318824 Specdb::MsMs 2617397 Specdb::MsMs 2617398 Specdb::MsMs 2617399 HMDB34110 #<Reference:0x000055ce3334c4a0> Herbs and Spices Unknown generic