1.0 2010-04-08 22:15:17 UTC 2015-07-21 06:48:30 UTC FDB020829 Laurolitsine Alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Flavouring ingredient 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol 2,9-Dihydroxy-1,10-dimethoxynoraporphine 6a-alpha-Noraporphine-2,9-diol, 1,10-dimethoxy- Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine Laurolistine Laurolitsine Norboldine C18H19NO4 313.3478 313.131408101 4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol 4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol 5890-18-6 COC1=C(O)C=C2CC3NCCC4=CC(O)=C(OC)C(C2=C1)=C34 InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3 KYVJVURXKAZJRK-UHFFFAOYSA-N belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Aporphines Organic compounds Alkaloids and derivatives Aporphines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline logp 1.73 ALOGPS logs -3.10 ALOGPS solubility 2.51e-01 g/l ALOGPS melting_point Mp 138-140° logp 1.67 ChemAxon pka_strongest_acidic 9.69 ChemAxon pka_strongest_basic 9.09 ChemAxon iupac 4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol ChemAxon average_mass 313.3478 ChemAxon mono_mass 313.131408101 ChemAxon smiles COC1=C(O)C=C2CC3NCCC4=CC(O)=C(OC)C(C2=C1)=C34 ChemAxon formula C18H19NO4 ChemAxon inchi InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3 ChemAxon inchikey KYVJVURXKAZJRK-UHFFFAOYSA-N ChemAxon polar_surface_area 70.95 ChemAxon refractivity 87.62 ChemAxon polarizability 33.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22055 Specdb::CMs 47044 Specdb::CMs 148863 Specdb::MsMs 12932 Specdb::MsMs 12933 Specdb::MsMs 12934 Specdb::MsMs 19604 Specdb::MsMs 19605 Specdb::MsMs 19606 Specdb::MsMs 2441008 Specdb::MsMs 2441009 Specdb::MsMs 2441010 Specdb::MsMs 2524308 Specdb::MsMs 2524309 Specdb::MsMs 2524310 HMDB40974 #<Reference:0x000055ce315f8d18>