1.0 2010-04-08 22:05:16 UTC 2025-11-18 22:35:39 UTC FDB002201 Asimilobine Asimilobine 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. Asimilobine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Asimilobine can be found in cherimoya and custard apple, which makes asimilobine a potential biomarker for the consumption of these food products. Asimilobine is an inhibitor of dopamine biosynthesis, and a serotonergic receptor antagonist . (-)-Asimilobine 2-Hydroxy-1-methoxynoraporphine Asimilobine Asimilobine? C17H17NO2 267.3224 267.125928793 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol 6871-21-2 COC1=C(O)C=C2CCNC3CC4=CC=CC=C4C1=C23 InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3 NBDNEUOVIJYCGZ-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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline logp 2.43 ALOGPS logs -3.75 ALOGPS solubility 4.76e-02 g/l ALOGPS melting_point Mp 177-179° logp 2.35 ChemAxon pka_strongest_acidic 10.12 ChemAxon pka_strongest_basic 9.28 ChemAxon iupac 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol ChemAxon average_mass 267.3224 ChemAxon mono_mass 267.125928793 ChemAxon smiles COC1=C(O)C=C2CCNC3CC4=CC=CC=C4C1=C23 ChemAxon formula C17H17NO2 ChemAxon inchi InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3 ChemAxon inchikey NBDNEUOVIJYCGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 41.49 ChemAxon refractivity 79.18 ChemAxon polarizability 29.52 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83283 Specdb::MsMs 83284 Specdb::MsMs 83285 Specdb::MsMs 144846 Specdb::MsMs 144847 Specdb::MsMs 144848 Specdb::MsMs 3599074 Specdb::MsMs 3599075 Specdb::MsMs 3599076 Specdb::MsMs 3599077 Specdb::MsMs 3599078 Specdb::MsMs 3599079 Cherimoya Type 1 specific Annona cherimola 49314 Custard apple Type 1 specific Annona reticulata 301862