1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:29 UTC FDB012737 Cepharadione A Alkaloid from Piper auritum (Veracruz pepper). Cepharadione A is found in herbs and spices. 7-Methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 9CI C18H11NO4 305.2842 305.068807845 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione 55610-01-0 CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31 InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3 RZIGKFTVXWUUCX-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 Azacyclic compounds Benzodioxoles Benzoquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Isoquinolones and derivatives Lactams Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Pyridinones Acetal Aporphine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Dihydroquinoline Dihydroquinolone Heteroaromatic compound Hydrocarbon derivative Isoquinoline Isoquinolone Lactam Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Pyridine Pyridinone Quinoline logp 2.73 ALOGPS logs -3.91 ALOGPS solubility 3.78e-02 g/l ALOGPS melting_point Mp 340-342° dec. logp 2.42 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione ChemAxon average_mass 305.2842 ChemAxon mono_mass 305.068807845 ChemAxon smiles CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31 ChemAxon formula C18H11NO4 ChemAxon inchi InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3 ChemAxon inchikey RZIGKFTVXWUUCX-UHFFFAOYSA-N ChemAxon polar_surface_area 55.84 ChemAxon refractivity 82.26 ChemAxon polarizability 30.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13658 Specdb::CMs 172263 Specdb::MsMs 54984 Specdb::MsMs 54985 Specdb::MsMs 54986 Specdb::MsMs 131829 Specdb::MsMs 131830 Specdb::MsMs 131831 Specdb::MsMs 2708525 Specdb::MsMs 2708526 Specdb::MsMs 2708527 Specdb::MsMs 2999920 Specdb::MsMs 2999921 Specdb::MsMs 2999922 HMDB34364 #<Reference:0x000055ce3362cee0> Herbs and Spices Unknown generic