1.02010-04-08 22:05:17 UTC2018-05-28 23:07:30 UTCFDB002225(S)-IsoboldineAlkaloid from Sassafras and from the leaves of Peumus boldus (boldo). Flavouring ingredient.(+)-Isoboldine2,10-Dimethoxy-6a-aporphine-1,9-diol2,10-Dimethoxy-6alpha-aporphine-1,9-diol21H,23H-Porphin21H,23H-PorphineD-Isoboldinedelta-IsoboldineIsoboldinePorphineProlmonProtoporphyrin disodiumS-1,9-Dihydroxy-2,10-dimethoxyaporphineS-2,10-Dimethoxy-6aalpha-aporphine-1,9-diolS-N-MethylaurelliptineC19H21NO4327.3743327.1470581654,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-5,16-diol4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-5,16-diol3019-51-0COC1=CC2=C(CC3N(C)CCC4=C3C2=C(O)C(OC)=C4)C=C1OInChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3LINHZVMHXABQLB-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.AporphinesOrganic compoundsAlkaloids and derivativesAporphinesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesAralkylaminesAzacyclic compoundsBenzoquinolinesHydrocarbon derivativesNaphthols and derivativesOrganopnictogen compoundsPhenanthrenes and derivativesTetrahydroisoquinolinesTrialkylamines1-hydroxy-2-unsubstituted benzenoid1-naphtholAlkyl aryl etherAmineAnisoleAporphineAralkylamineAromatic heteropolycyclic compoundAzacycleBenzenoidBenzoquinolineEtherHydrocarbon derivativeNaphthaleneOrganic nitrogen compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenanthreneQuinolineTertiary aliphatic amineTertiary amineTetrahydroisoquinolineSolidlogp2.34logs-3.00solubility3.29e-01 g/lmelting_pointMp 178-180° dec.logp2.78pka_strongest_acidic9.51pka_strongest_basic6.78iupac4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-5,16-diolaverage_mass327.3743mono_mass327.147058165smilesCOC1=CC2=C(CC3N(C)CCC4=C3C2=C(O)C(OC)=C4)C=C1OformulaC19H21NO4inchiInChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3inchikeyLINHZVMHXABQLB-UHFFFAOYSA-Npolar_surface_area62.16refractivity92.91polarizability35.58rotatable_bond_count2acceptor_count5donor_count2physiological_charge1formal_charge0Specdb::MsMs55863Specdb::MsMs55864Specdb::MsMs55865Specdb::MsMs111123Specdb::MsMs111124Specdb::MsMs111125HMDB00839#<Reference:0x0000555674190ff8>#<Reference:0x0000555674190e40>