1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:33 UTC FDB011092 7-Formyldehydrothalicsimidine Alkaloid from Annona purpurea (soncoya). 7-Formyldehydrothalicsimidine is found in beverages and fruits. C23H25NO6 411.4477 411.168187537 4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-8-carbaldehyde 4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-8-carbaldehyde COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1C(N(C)CC3)=C2C=O InChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3 JSQVAGZIQIKFIG-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 Aryl-aldehydes Azacyclic compounds Benzoquinolines Dialkylarylamines Hydrocarbon derivatives Naphthalenes Organic oxides Organopnictogen compounds Phenanthrenes and derivatives Vinylogous amides Aldehyde Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Benzenoid Benzoquinoline Dialkylarylamine Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide logp 3.76 ALOGPS logs -4.51 ALOGPS solubility 1.28e-02 g/l ALOGPS melting_point Mp 160-162° logp 3.02 ChemAxon pka_strongest_basic 2.36 ChemAxon iupac 4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-8-carbaldehyde ChemAxon average_mass 411.4477 ChemAxon mono_mass 411.168187537 ChemAxon smiles COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1C(N(C)CC3)=C2C=O ChemAxon formula C23H25NO6 ChemAxon inchi InChI=1S/C23H25NO6/c1-24-8-7-12-18-19(22(29-5)23(30-6)21(12)28-4)14-10-17(27-3)16(26-2)9-13(14)15(11-25)20(18)24/h9-11H,7-8H2,1-6H3 ChemAxon inchikey JSQVAGZIQIKFIG-UHFFFAOYSA-N ChemAxon polar_surface_area 66.46 ChemAxon refractivity 115.6 ChemAxon polarizability 44.24 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11292 Specdb::CMs 174026 Specdb::MsMs 47397 Specdb::MsMs 47398 Specdb::MsMs 47399 Specdb::MsMs 166794 Specdb::MsMs 166795 Specdb::MsMs 166796 Specdb::MsMs 2779972 Specdb::MsMs 2779973 Specdb::MsMs 2779974 Specdb::MsMs 2925079 Specdb::MsMs 2925080 Specdb::MsMs 2925081 HMDB33097 #<Reference:0x000055ce31f4d260> Beverages Unknown generic Fruits Unknown generic