1.0 2010-04-08 22:09:37 UTC 2025-11-18 23:26:42 UTC FDB011386 (S)-Neolitsine Alkaloid from the leaves of Laurus nobilis (bay laurel). (S)-Neolitsine is found in tea, sweet bay, and herbs and spices. Neolitsine C19H17NO4 323.3426 323.115758037 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene 2466-42-4 CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC2=C(OCO2)C=C31 InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3 GKEOKAJRKHTDOS-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 Acetals Aralkylamines Azacyclic compounds Benzodioxoles Benzoquinolines Hydrocarbon derivatives Naphthalenes Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Trialkylamines Acetal Amine Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline 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 2.49 ALOGPS logs -3.18 ALOGPS solubility 2.12e-01 g/l ALOGPS melting_point Mp 149-150° logp 2.95 ChemAxon pka_strongest_basic 7.03 ChemAxon iupac 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene ChemAxon average_mass 323.3426 ChemAxon mono_mass 323.115758037 ChemAxon smiles CN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC2=C(OCO2)C=C31 ChemAxon formula C19H17NO4 ChemAxon inchi InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3 ChemAxon inchikey GKEOKAJRKHTDOS-UHFFFAOYSA-N ChemAxon polar_surface_area 40.16 ChemAxon refractivity 87.56 ChemAxon polarizability 34.52 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21210 Specdb::CMs 152342 Specdb::MsMs 6653 Specdb::MsMs 6654 Specdb::MsMs 6655 Specdb::MsMs 13325 Specdb::MsMs 13326 Specdb::MsMs 13327 Specdb::MsMs 2349278 Specdb::MsMs 2349279 Specdb::MsMs 2349280 Specdb::MsMs 2586820 Specdb::MsMs 2586821 Specdb::MsMs 2586822 HMDB33358 #<Reference:0x000055ce33523dc8> 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