1.0 2010-04-08 22:15:43 UTC 2018-05-29 01:51:30 UTC FDB021482 Na-Formyl-1-methyl-b-carboline Isolated from roots of Panax ginseng and Codonopsis lanceolata (todok). Struct. has now been shown to be identical with 1-Acetyl-b-carboline <ht>CHK59-M</ht> Na-Formyl-1-methyl-b-carboline C12H10N2 182.2212 182.08439833 1-methyl-9H-pyrido[3,4-b]indole harmane 486-84-0 CC1=C2NC3=CC=CC=C3C2=CC=N1 InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 PSFDQSOCUJVVGF-UHFFFAOYSA-N belongs to the class of organic compounds known as harmala alkaloids. Harmala alkaloids are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. Harmala alkaloids Organic compounds Alkaloids and derivatives Harmala alkaloids Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Beta carbolines Heteroaromatic compounds Hydrocarbon derivatives Indoles Methylpyridines Organonitrogen compounds Organopnictogen compounds Pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Harman Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Methylpyridine Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine Pyridoindole Pyrrole Indole alkaloids harmala alkaloid indole alkaloid indole alkaloid fundamental parent logp 3.36 ALOGPS logs -3.28 ALOGPS solubility 9.67e-02 g/l ALOGPS melting_point Mp 89° logp 2 ChemAxon pka_strongest_acidic 13.72 ChemAxon pka_strongest_basic 5.97 ChemAxon iupac 1-methyl-9H-pyrido[3,4-b]indole ChemAxon average_mass 182.2212 ChemAxon mono_mass 182.08439833 ChemAxon smiles CC1=C2NC3=CC=CC=C3C2=CC=N1 ChemAxon formula C12H10N2 ChemAxon inchi InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 ChemAxon inchikey PSFDQSOCUJVVGF-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 55.91 ChemAxon polarizability 20.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5611 Specdb::CMs 26883 Specdb::CMs 101719 Specdb::CMs 170050 Specdb::MsIr 6840 Specdb::MsIr 6841 Specdb::MsIr 6842 Specdb::NmrOneD 284829 Specdb::NmrOneD 284830 Specdb::NmrOneD 284831 Specdb::NmrOneD 284832 Specdb::NmrOneD 284833 Specdb::NmrOneD 284834 Specdb::NmrOneD 284835 Specdb::NmrOneD 284836 Specdb::NmrOneD 284837 Specdb::NmrOneD 284838 Specdb::NmrOneD 284839 Specdb::NmrOneD 284840 Specdb::NmrOneD 284841 Specdb::NmrOneD 284842 Specdb::NmrOneD 284843 Specdb::NmrOneD 284844 Specdb::NmrOneD 284845 Specdb::NmrOneD 284846 Specdb::NmrOneD 284847 Specdb::NmrOneD 284848 Specdb::MsMs 78843 Specdb::MsMs 78844 Specdb::MsMs 78845 Specdb::MsMs 139302 Specdb::MsMs 139303 Specdb::MsMs 139304 Specdb::MsMs 436950 Specdb::MsMs 436951 Specdb::MsMs 436952 Specdb::MsMs 436953 Specdb::MsMs 436954 Specdb::MsMs 437831 Specdb::MsMs 437832 Specdb::MsMs 437833 Specdb::MsMs 437834 Specdb::MsMs 437835 Specdb::MsMs 440711 Specdb::MsMs 444959 Specdb::MsMs 444960 Specdb::MsMs 444961 Specdb::MsMs 444962 Specdb::MsMs 444963 Specdb::MsMs 445313 Specdb::MsMs 445314 Specdb::MsMs 445363