1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:29 UTC FDB021518 N-Methoxycarbonylanonaine Alkaloid from fresh unripe fruits of Rollinia mucosa (biriba). N-Methoxycarbonylanonaine is found in cherimoya, alcoholic beverages, and fruits. N-Methoxycarbonylanonaine Romucosine C19H17NO4 323.3426 323.115758037 methyl 3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate methyl 3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate 181718-71-8 COC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31 InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3 XBZPCDCYDZGHSV-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 Azacyclic compounds Benzodioxoles Benzoquinolines Carbonyl compounds Hydrocarbon derivatives Methylcarbamates Naphthalenes Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Acetal Aporphine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Carbamic acid ester Carbonic acid derivative Carbonyl group Hydrocarbon derivative Methylcarbamate Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Quinoline Tetrahydroisoquinoline logp 2.82 ALOGPS logs -3.57 ALOGPS solubility 8.73e-02 g/l ALOGPS melting_point Mp 152-153° logp 3.17 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac methyl 3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate ChemAxon average_mass 323.3426 ChemAxon mono_mass 323.115758037 ChemAxon smiles COC(=O)N1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31 ChemAxon formula C19H17NO4 ChemAxon inchi InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3 ChemAxon inchikey XBZPCDCYDZGHSV-UHFFFAOYSA-N ChemAxon polar_surface_area 48 ChemAxon refractivity 87.69 ChemAxon polarizability 34.12 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9993 Specdb::CMs 156527 Specdb::MsMs 288085 Specdb::MsMs 288086 Specdb::MsMs 288087 Specdb::MsMs 327091 Specdb::MsMs 327092 Specdb::MsMs 327093 Specdb::MsMs 2818149 Specdb::MsMs 2818150 Specdb::MsMs 2818151 Specdb::MsMs 2887598 Specdb::MsMs 2887599 Specdb::MsMs 2887600 HMDB41538 #<Reference:0x000055ce30651680> Alcoholic beverages Unknown generic Cherimoya Type 1 specific Annona cherimola 49314 Fruits Unknown generic