1.0 2010-04-08 22:09:20 UTC 2018-05-28 23:29:00 UTC FDB010858 13-Oxocryptopine Alkaloid from Papaver somniferum (opium poppy). 13-Oxocryptopine 14-Oxocryptopine C21H21NO6 383.3945 383.136887409 6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁵,¹⁹]henicosa-1(14),4(9),5,7,15(19),20-hexaene-2,3-dione 6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁵,¹⁹]henicosa-1(14),4(9),5,7,15(19),20-hexaene-2,3-dione 15215-66-4 COC1=CC2=C(C=C1OC)C(=O)C(=O)C1=C(CN(C)CC2)C2=C(OCO2)C=C1 InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3 UFCVPEFVGGMGSE-UHFFFAOYSA-N belongs to the class of organic compounds known as protopine alkaloids. These are alkaloids with a structure based on a tricyclic protopine formed by oxidative ring fission of protoberberine N-metho salts. Protopine alkaloids Organic compounds Alkaloids and derivatives Protopine alkaloids Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Aralkylamines Aryl ketones Azacyclic compounds Benzodioxoles Hydrocarbon derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Trialkylamines Acetal Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Benzodioxole Ether Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Protopine skeleton Tertiary aliphatic amine Tertiary amine logp 1.72 ALOGPS logs -3.55 ALOGPS solubility 1.08e-01 g/l ALOGPS melting_point Mp 185-186° logp 2.53 ChemAxon pka_strongest_basic 2.56 ChemAxon iupac 6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁵,¹⁹]henicosa-1(14),4(9),5,7,15(19),20-hexaene-2,3-dione ChemAxon average_mass 383.3945 ChemAxon mono_mass 383.136887409 ChemAxon smiles COC1=CC2=C(C=C1OC)C(=O)C(=O)C1=C(CN(C)CC2)C2=C(OCO2)C=C1 ChemAxon formula C21H21NO6 ChemAxon inchi InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3 ChemAxon inchikey UFCVPEFVGGMGSE-UHFFFAOYSA-N ChemAxon polar_surface_area 74.3 ChemAxon refractivity 102.62 ChemAxon polarizability 39.61 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11322 Specdb::CMs 172249 Specdb::MsMs 87486 Specdb::MsMs 87487 Specdb::MsMs 87488 Specdb::MsMs 150003 Specdb::MsMs 150004 Specdb::MsMs 150005 Specdb::MsMs 2345102 Specdb::MsMs 2345103 Specdb::MsMs 2345104 Specdb::MsMs 2589667 Specdb::MsMs 2589668 Specdb::MsMs 2589669 HMDB32878 #<Reference:0x000055ce2ca43990>