1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:37 UTC FDB011863 Dehydronuciferine Alkaloid from the leaves of Nelumbo nucifera (East Indian lotus). Dehydronuciferine is found in coffee and coffee products. C19H19NO2 293.3597 293.141578857 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene 7630-74-2 COC1=C(OC)C2=C3C(CCN(C)C3=CC3=CC=CC=C23)=C1 InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3 JBGSWIBJAGBGOP-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 Azacyclic compounds Benzoquinolines Dialkylarylamines Hydrocarbon derivatives Naphthalenes Organopnictogen compounds Phenanthrenes and derivatives Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Dialkylarylamine Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Tertiary aliphatic/aromatic amine Tertiary amine logp 4.46 ALOGPS logs -4.63 ALOGPS solubility 6.88e-03 g/l ALOGPS melting_point Mp 130-131° logp 3.78 ChemAxon pka_strongest_basic 4.72 ChemAxon iupac 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene ChemAxon average_mass 293.3597 ChemAxon mono_mass 293.141578857 ChemAxon smiles COC1=C(OC)C2=C3C(CCN(C)C3=CC3=CC=CC=C23)=C1 ChemAxon formula C19H19NO2 ChemAxon inchi InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3 ChemAxon inchikey JBGSWIBJAGBGOP-UHFFFAOYSA-N ChemAxon polar_surface_area 21.7 ChemAxon refractivity 89.62 ChemAxon polarizability 33.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16434 Specdb::CMs 157483 Specdb::MsMs 58974 Specdb::MsMs 58975 Specdb::MsMs 58976 Specdb::MsMs 115008 Specdb::MsMs 115009 Specdb::MsMs 115010 Specdb::MsMs 2830864 Specdb::MsMs 2830865 Specdb::MsMs 2830866 Specdb::MsMs 2848637 Specdb::MsMs 2848638 Specdb::MsMs 2848639 HMDB33737 #<Reference:0x000055ce325eefb0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390