1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:32 UTC FDB011079 7-Hydroxydehydroglaucine Alkaloid from Annona purpurea (soncoya). 7-Hydroxydehydroglaucine is found in beverages and fruits. 7-Hydroxydehydroglaucine C21H23NO5 369.411 369.157622851 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol COC1=C(OC)C=C2C(=C1)C(O)=C1N(C)CCC3=CC(OC)=C(OC)C2=C13 InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3 XTYGTYHSWAJTPX-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 Aralkylamines Azacyclic compounds Benzoquinolines Dialkylarylamines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrols 1-naphthol 2-naphthol Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Dialkylarylamine Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Phenanthrol Quinoline Tertiary aliphatic/aromatic amine Tertiary amine logp 3.76 ALOGPS logs -3.87 ALOGPS solubility 4.95e-02 g/l ALOGPS melting_point Mp 242-243° logp 3.17 ChemAxon pka_strongest_acidic 9.63 ChemAxon pka_strongest_basic 3.64 ChemAxon iupac 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol ChemAxon average_mass 369.411 ChemAxon mono_mass 369.157622851 ChemAxon smiles COC1=C(OC)C=C2C(=C1)C(O)=C1N(C)CCC3=CC(OC)=C(OC)C2=C13 ChemAxon formula C21H23NO5 ChemAxon inchi InChI=1S/C21H23NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h8-10,23H,6-7H2,1-5H3 ChemAxon inchikey XTYGTYHSWAJTPX-UHFFFAOYSA-N ChemAxon polar_surface_area 60.39 ChemAxon refractivity 104.53 ChemAxon polarizability 40.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22005 Specdb::CMs 43085 Specdb::CMs 133641 Specdb::CMs 141375 Specdb::MsMs 70737 Specdb::MsMs 70738 Specdb::MsMs 70739 Specdb::MsMs 129285 Specdb::MsMs 129286 Specdb::MsMs 129287 Specdb::MsMs 3045808 Specdb::MsMs 3045809 Specdb::MsMs 3045810 Specdb::MsMs 3093904 Specdb::MsMs 3093905 Specdb::MsMs 3093906 HMDB33084 #<Reference:0x000055ce32342780> Beverages Unknown generic Fruits Unknown generic