1.0 2010-04-08 22:09:37 UTC 2025-11-18 23:26:45 UTC FDB011388 Isodomesticine Alkaloid from the leaves of Laurus nobilis (bay laurel). Isodomesticine is found in tea, sweet bay, and herbs and spices. (+)-1-Methoxy-2-hydroxy-9,10-methylenedioxyaporphine 2-Hydroxy-1-methoxy-9,10-methylenedioxyaporphine Isodomesticine C19H19NO4 325.3585 325.131408101 19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-18-ol 19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-18-ol 70560-83-7 COC1=C2C3=CC4=C(OCO4)C=C3CC3N(C)CCC(C=C1O)=C23 InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3 OGJUMNZGTZWIBO-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 Acetals Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzodioxoles Benzoquinolines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Acetal Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Quinoline Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 2.33 ALOGPS logs -2.92 ALOGPS solubility 3.90e-01 g/l ALOGPS melting_point Mp 85° logp 2.86 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic 7.08 ChemAxon iupac 19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-18-ol ChemAxon average_mass 325.3585 ChemAxon mono_mass 325.131408101 ChemAxon smiles COC1=C2C3=CC4=C(OCO4)C=C3CC3N(C)CCC(C=C1O)=C23 ChemAxon formula C19H19NO4 ChemAxon inchi InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3 ChemAxon inchikey OGJUMNZGTZWIBO-UHFFFAOYSA-N ChemAxon polar_surface_area 51.16 ChemAxon refractivity 90.24 ChemAxon polarizability 35.23 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25062 Specdb::CMs 43262 Specdb::CMs 163617 Specdb::MsMs 80547 Specdb::MsMs 80548 Specdb::MsMs 80549 Specdb::MsMs 141444 Specdb::MsMs 141445 Specdb::MsMs 141446 Specdb::MsMs 2472833 Specdb::MsMs 2472834 Specdb::MsMs 2472835 Specdb::MsMs 2490278 Specdb::MsMs 2490279 Specdb::MsMs 2490280 HMDB33360 #<Reference:0x000055ce324ee368> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Sweet bay Type 1 specific Laurus nobilis 85223 Tea Type 1 specific Camellia sinensis 4442