1.0 2010-04-08 22:09:37 UTC 2019-11-26 03:04:53 UTC FDB011395 Oxonantenine Alkaloid from Laurelia sempervirens (Peruvian nutmeg). Oxonantenine is found in custard apple, cherimoya, and herbs and spices. 1,2-Dimethoxy-4,5,6,6a-tetradehydro-9,10-(methylenedioxy)noraprophin-7-one 1,2-Dimethoxy-9,10-methylenedioxyoxoaporphine Oxonantenine C19H13NO5 335.3102 335.079372531 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one 15358-38-0 COC1=C(OC)C2=C3C(C=CN=C3C(=O)C3=CC4=C(OCO4)C=C23)=C1 InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3 NFDVJYPMLVMXRR-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 Alkyl aryl ethers Anisoles Aryl ketones Azacyclic compounds Benzodioxoles Benzoquinolines Heteroaromatic compounds Hydrocarbon derivatives Isoquinolines and derivatives Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Pyridines and derivatives Acetal Alkyl aryl ether Anisole Aporphine Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Benzodioxole Benzoquinoline Ether Heteroaromatic compound Hydrocarbon derivative Isoquinoline Ketone Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Pyridine Quinoline alkaloid antibiotic aromatic ether isoquinoline alkaloid organic heteropentacyclic compound oxacycle logp 2.61 ALOGPS logs -3.06 ALOGPS solubility 2.95e-01 g/l ALOGPS melting_point Mp 297-299° logp 2.57 ChemAxon pka_strongest_basic 3.66 ChemAxon iupac 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one ChemAxon average_mass 335.3102 ChemAxon mono_mass 335.079372531 ChemAxon smiles COC1=C(OC)C2=C3C(C=CN=C3C(=O)C3=CC4=C(OCO4)C=C23)=C1 ChemAxon formula C19H13NO5 ChemAxon inchi InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3 ChemAxon inchikey NFDVJYPMLVMXRR-UHFFFAOYSA-N ChemAxon polar_surface_area 66.88 ChemAxon refractivity 88.33 ChemAxon polarizability 33.91 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9792 Specdb::CMs 162239 Specdb::MsMs 10853 Specdb::MsMs 10854 Specdb::MsMs 10855 Specdb::MsMs 17525 Specdb::MsMs 17526 Specdb::MsMs 17527 Specdb::MsMs 2452495 Specdb::MsMs 2452496 Specdb::MsMs 2452497 Specdb::MsMs 2483619 Specdb::MsMs 2483620 Specdb::MsMs 2483621 HMDB33367 #<Reference:0x000055ce3003dac8> Cherimoya Type 1 specific Annona cherimola 49314 Custard apple Type 1 specific Annona reticulata 301862 Herbs and Spices Unknown generic