1.0 2010-04-08 22:15:21 UTC 2019-11-26 03:19:39 UTC FDB020938 1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine Alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). 1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine is found in herbs and spices and fruits. 1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine, 9CI C21H17NO4 347.364 347.115758037 17,18-dimethoxy-20-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene 17,18-dimethoxy-20-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene 154490-59-2 COC1=C(OC)C2=C(C)N=C3C4=CC5=C(OCO5)C=C4C=CC3=C2C=C1 InChI=1S/C21H17NO4/c1-11-19-13(6-7-16(23-2)21(19)24-3)14-5-4-12-8-17-18(26-10-25-17)9-15(12)20(14)22-11/h4-9H,10H2,1-3H3 FYDZPRHXTQYOIW-UHFFFAOYSA-N belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. Phenanthridines and derivatives Organic compounds Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Azacyclic compounds Benzodioxoles Heteroaromatic compounds Hydrocarbon derivatives Isoquinolines and derivatives Methylpyridines Naphthalenes Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Ether Heteroaromatic compound Hydrocarbon derivative Isoquinoline Methylpyridine Naphthalene Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthridine Pyridine logp 4.45 ALOGPS logs -4.66 ALOGPS solubility 7.51e-03 g/l ALOGPS melting_point Mp 198-200° logp 3.55 ChemAxon pka_strongest_basic 5.39 ChemAxon iupac 17,18-dimethoxy-20-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene ChemAxon average_mass 347.364 ChemAxon mono_mass 347.115758037 ChemAxon smiles COC1=C(OC)C2=C(C)N=C3C4=CC5=C(OCO5)C=C4C=CC3=C2C=C1 ChemAxon formula C21H17NO4 ChemAxon inchi InChI=1S/C21H17NO4/c1-11-19-13(6-7-16(23-2)21(19)24-3)14-5-4-12-8-17-18(26-10-25-17)9-15(12)20(14)22-11/h4-9H,10H2,1-3H3 ChemAxon inchikey FYDZPRHXTQYOIW-UHFFFAOYSA-N ChemAxon polar_surface_area 49.81 ChemAxon refractivity 96.16 ChemAxon polarizability 37.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20093 Specdb::CMs 146135 Specdb::MsMs 310768 Specdb::MsMs 310769 Specdb::MsMs 310770 Specdb::MsMs 355603 Specdb::MsMs 355604 Specdb::MsMs 355605 Specdb::MsMs 2774246 Specdb::MsMs 2774247 Specdb::MsMs 2774248 Specdb::MsMs 2904579 Specdb::MsMs 2904580 Specdb::MsMs 2904581 HMDB41063 #<Reference:0x000055ce317ae518> Fruits Unknown generic Herbs and Spices Unknown generic