1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:44 UTC FDB011266 Aristolodione Alkaloid Piper longum (long pepper). Aristolodione is found in herbs and spices. Aristolodione Piperadione C18H13NO4 307.3001 307.084457909 15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione 15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione 109771-09-7 COC1=C(O)C=C2C(=O)C(=O)N(C)C3=CC4=CC=CC=C4C1=C23 InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3 JGDZUWXHWYXMSD-UHFFFAOYSA-N belongs to the class of organic compounds known as 4,5-dioxoaporphines. These are alkaloids that contains the tetracyclic aporphine skeleton with two C=O groups at the 4- and 5-positions. 4,5-dioxoaporphines Organic compounds Alkaloids and derivatives Aporphines 4,5-dioxoaporphines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Azacyclic compounds Benzoquinolines Hydrocarbon derivatives Isoquinolones and derivatives Lactams Naphthols and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenanthrols Quinolones and derivatives Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 2-naphthol 4,5-dioxoaporphine Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Benzoquinoline Carbonyl group Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Isoquinolone Ketone Lactam Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Phenanthrol Quinoline Quinolone Tertiary carboxylic acid amide logp 2.89 ALOGPS logs -3.96 ALOGPS solubility 3.38e-02 g/l ALOGPS melting_point Mp 273-276° dec. logp 2.33 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione ChemAxon average_mass 307.3001 ChemAxon mono_mass 307.084457909 ChemAxon smiles COC1=C(O)C=C2C(=O)C(=O)N(C)C3=CC4=CC=CC=C4C1=C23 ChemAxon formula C18H13NO4 ChemAxon inchi InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3 ChemAxon inchikey JGDZUWXHWYXMSD-UHFFFAOYSA-N ChemAxon polar_surface_area 66.84 ChemAxon refractivity 84.94 ChemAxon polarizability 31.34 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66918 Specdb::MsMs 66919 Specdb::MsMs 66920 Specdb::MsMs 124605 Specdb::MsMs 124606 Specdb::MsMs 124607 Specdb::MsMs 2791487 Specdb::MsMs 2791488 Specdb::MsMs 2791489 Specdb::MsMs 2914892 Specdb::MsMs 2914893 Specdb::MsMs 2914894 Specdb::CMs 10865 Specdb::CMs 43172 Specdb::CMs 135557 Specdb::CMs 143291 HMDB33247 #<Reference:0x000055ce32508a88> Herbs and Spices Unknown generic