1.0 2010-04-08 22:12:09 UTC 2019-11-26 03:12:29 UTC FDB015960 N-Methoxycarbonyl-N-nornuciferine Alkaloid from Rollinia mucosa (biriba). N-Methoxycarbonyl-N-nornuciferine is found in alcoholic beverages and fruits. N-Methoxycarbonyl-N-nornuciferine C20H21NO4 339.385 339.147058165 methyl 15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate methyl 15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate 356042-11-0 COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C=CC=C1 InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3 NZPPZYPCWOGFIQ-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 Alkyl aryl ethers Anisoles Azacyclic compounds Benzoquinolines Carbonyl compounds Hydrocarbon derivatives Methylcarbamates Naphthalenes Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Alkyl aryl ether Anisole Aporphine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Carbamic acid ester Carbonic acid derivative Carbonyl group Ether Hydrocarbon derivative Methylcarbamate Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Tetrahydroisoquinoline logp 3.44 ALOGPS logs -3.95 ALOGPS solubility 3.85e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac methyl 15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate ChemAxon average_mass 339.385 ChemAxon mono_mass 339.147058165 ChemAxon smiles COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C=CC=C1 ChemAxon formula C20H21NO4 ChemAxon inchi InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3 ChemAxon inchikey NZPPZYPCWOGFIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 48 ChemAxon refractivity 94.85 ChemAxon polarizability 37.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10012 Specdb::CMs 169261 Specdb::MsMs 12197 Specdb::MsMs 12198 Specdb::MsMs 12199 Specdb::MsMs 18869 Specdb::MsMs 18870 Specdb::MsMs 18871 Specdb::MsMs 2353054 Specdb::MsMs 2353055 Specdb::MsMs 2353056 Specdb::MsMs 2585668 Specdb::MsMs 2585669 Specdb::MsMs 2585670 HMDB36988 #<Reference:0x000055ce328236f0> Alcoholic beverages Unknown generic Fruits Unknown generic