1.0 2010-04-08 22:05:14 UTC 2025-11-18 22:34:54 UTC FDB002096 Boldine (s)-boldine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof (s)-boldine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-boldine can be found in sweet bay, which makes (s)-boldine a potential biomarker for the consumption of this food product. 2,9-Dihydroxy-1,10-dimethoxyaporphine 5,6,6a,7-Tetrahydro-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-2,9-diol, 9CI C19H21NO4 327.3743 327.147058165 4,16-dimethoxy-10-methyl-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-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol 476-70-0 COC1=C(O)C=C2CC3N(C)CCC4=CC(O)=C(OC)C(C2=C1)=C34 InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3 LZJRNLRASBVRRX-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 Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Trialkylamines 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 Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 2.33 ALOGPS logs -2.99 ALOGPS solubility 3.34e-01 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_acidic 6.67 ChemAxon pka_strongest_basic 12.35 ChemAxon iupac 4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol ChemAxon average_mass 327.3743 ChemAxon mono_mass 327.147058165 ChemAxon smiles COC1=C(O)C=C2CC3N(C)CCC4=CC(O)=C(OC)C(C2=C1)=C34 ChemAxon formula C19H21NO4 ChemAxon inchi InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3 ChemAxon inchikey LZJRNLRASBVRRX-UHFFFAOYSA-N ChemAxon polar_surface_area 62.16 ChemAxon refractivity 92.91 ChemAxon polarizability 35.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14841 Specdb::CMs 46253 Specdb::CMs 128952 Specdb::CMs 167559 Specdb::CMs 855118 Specdb::CMs 855119 Specdb::CMs 855120 Specdb::CMs 855121 Specdb::CMs 855122 Specdb::MsMs 10127 Specdb::MsMs 10128 Specdb::MsMs 10129 Specdb::MsMs 16799 Specdb::MsMs 16800 Specdb::MsMs 16801 Specdb::MsMs 374619 Specdb::MsMs 439729 Specdb::MsMs 449813 Specdb::MsMs 449814 Specdb::MsMs 451243 Specdb::MsMs 2236009 Specdb::MsMs 2237016 Specdb::MsMs 2237272 Specdb::MsMs 2238096 Specdb::MsMs 2238252 Specdb::MsMs 2238374 Specdb::MsMs 2239145 Specdb::MsMs 2239186 Specdb::MsMs 2239313 Specdb::MsMs 2240088 Specdb::MsMs 2241149 Specdb::MsMs 2242220 Specdb::MsMs 2243188 Specdb::MsMs 2246438 HMDB0039085 Sweet bay Type 1 specific Laurus nobilis 85223 Abortifacient 13 A chemical substance that interrupts pregnancy after implantation. Anti hepatotic 327 Any compound that is able to prevent damage to the liver. Anti prostaglandin 550 A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. Anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Anti radicular 572 Anti-diabetic 228 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-edemic 248 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-lithic 409 Anti-mutagenic 451 Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Beta-adrenergic receptor blocker 727 Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter. Calcium channel blocker 749 One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. Chemopreventive 796 A substance that inhibits or prevents the proliferation of neoplasms. Choleretic 801 Convulsant 832 Diuretic 883 An agent that promotes the excretion of urine through its effects on kidney function. Gastrostimulant 949 A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Hydrogen-peroxide inhibitor 1000 A substance that diminishes the rate of a chemical reaction. Hypnotic 1012 Immunomodulator 1031 Biologically active substance whose activity affects or plays a role in the functioning of the immune system. Myorelaxant 1134 Neuroleptic 1153 Nitric-oxide inhibitor 1167 A substance that diminishes the rate of a chemical reaction. Prostaglandin synthesis inhibitor 1258 A substance that diminishes the rate of a chemical reaction. Teratogenic 1347 A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. Uricosuric 1396 Vasoconstrictor 1412 Drug used to cause constriction of the blood vessels.