1.0 2010-04-08 22:05:16 UTC 2020-02-24 19:10:26 UTC FDB002170 Perlolyrine Alkaloid from Korean ginseng and Japanese soy sauce. Perlolyrine is found in saffron, soy bean, and herbs and spices. [5-(9H-Beta-carbolin-1-yl)-2-furyl]methanol 2-(b-Carbolin-1-yl)-5-hydroxymethylfuran 2-Dehydrocarbonylflazin 2-Furanmethanol, 5-(9H-pyrido(3,4-b)indol-1-yl)- 5-(9H-Pyrido(3,4-b)indol-1-yl)-2-furanmethanol 5-(9H-Pyrido[3,4-b]indol-1-yl)-2-furanmethanol, 9CI Alkaloid YS C16H12N2O2 264.2787 264.089877638 (5-{9H-pyrido[3,4-b]indol-1-yl}furan-2-yl)methanol perlolyrine 29700-20-7 OCC1=CC=C(O1)C1=NC=CC2=C1NC1=CC=CC=C21 InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2 KFUCYPGCMLPUMT-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 Aromatic alcohols Azacyclic compounds Benzenoids Beta carbolines Furans Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Pyridines and derivatives Pyrroles Alcohol Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Furan Harman Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Pyridine Pyridoindole Pyrrole Indole alkaloids organic molecular entity logp 2.66 ALOGPS logs -3.47 ALOGPS solubility 8.92e-02 g/l ALOGPS melting_point Mp 183° logp 2.12 ChemAxon pka_strongest_acidic 12.43 ChemAxon pka_strongest_basic 2.79 ChemAxon iupac (5-{9H-pyrido[3,4-b]indol-1-yl}furan-2-yl)methanol ChemAxon average_mass 264.2787 ChemAxon mono_mass 264.089877638 ChemAxon smiles OCC1=CC=C(O1)C1=NC=CC2=C1NC1=CC=CC=C21 ChemAxon formula C16H12N2O2 ChemAxon inchi InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2 ChemAxon inchikey KFUCYPGCMLPUMT-UHFFFAOYSA-N ChemAxon polar_surface_area 62.05 ChemAxon refractivity 75.16 ChemAxon polarizability 28.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9074 Specdb::MsMs 9075 Specdb::MsMs 9076 Specdb::MsMs 15746 Specdb::MsMs 15747 Specdb::MsMs 15748 Specdb::MsMs 3052487 Specdb::MsMs 3052488 Specdb::MsMs 3052489 Specdb::MsMs 3115300 Specdb::MsMs 3115301 Specdb::MsMs 3115302 Specdb::CMs 5823 Specdb::CMs 41870 Specdb::CMs 133338 Specdb::CMs 141072 HMDB30327 #<Reference:0x000055ce31d28570> Herbs and Spices Unknown generic Saffron Type 1 specific Crocus sativus 82528 Soy bean Type 1 specific Glycine max 3847