1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:53 UTC FDB001777 Oxoxylopine Oxoxylopine, also known as lanuginosine, is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Oxoxylopine is practically insoluble (in water) and a strong basic compound (based on its pKa). Oxoxylopine can be found in cherimoya, custard apple, and sugar apple, which makes oxoxylopine a potential biomarker for the consumption of these food products. Atherospermidine Lanuginosine Oxoxylopin C18H11NO4 305.2842 305.068807845 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one 23740-25-2 COC1=CC2=C(C=C1)C1=C3C(C=CN=C3C2=O)=CC2=C1OCO2 InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3 WLXLLQQGGGHOMA-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 logp 2.57 ALOGPS logs -2.93 ALOGPS solubility 3.61e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_basic 3.47 ChemAxon iupac 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one ChemAxon average_mass 305.2842 ChemAxon mono_mass 305.068807845 ChemAxon smiles COC1=CC2=C(C=C1)C1=C3C(C=CN=C3C2=O)=CC2=C1OCO2 ChemAxon formula C18H11NO4 ChemAxon inchi InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3 ChemAxon inchikey WLXLLQQGGGHOMA-UHFFFAOYSA-N ChemAxon polar_surface_area 57.65 ChemAxon refractivity 81.86 ChemAxon polarizability 31.08 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94122 Specdb::MsMs 94123 Specdb::MsMs 94124 Specdb::MsMs 158082 Specdb::MsMs 158083 Specdb::MsMs 158084 Specdb::MsMs 3598429 Specdb::MsMs 3598430 Specdb::MsMs 3598431 Specdb::MsMs 3598432 Specdb::MsMs 3598433 Specdb::MsMs 3598434 Cherimoya Type 1 specific Annona cherimola 49314 Custard apple Type 1 specific Annona reticulata 301862 Sugar apple Type 1 specific Annona squamosa 301693