1.0 2010-04-08 22:15:04 UTC 2025-11-19 02:32:13 UTC FDB020499 Oblongine Quaternary alkaloid from stems of Litsea cubeba (mountain pepper). Oblongine is found in fruits. 1,2,3,4-Tetrahydro-8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethylisoquinolinium Oblongine? C19H24NO3 314.3988 314.175618639 8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium 8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium 152230-57-4 COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1 InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1 POJZOQWVMMYVBU-UHFFFAOYSA-O belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Benzylisoquinolines Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Organic cations Organic salts Organopnictogen compounds Tetraalkylammonium salts Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Ether Hydrocarbon derivative Monocyclic benzene moiety Organic cation Organic nitrogen compound Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Quaternary ammonium salt Tetraalkylammonium salt Tetrahydroisoquinoline logp 0.95 ALOGPS logs -5.21 ALOGPS solubility 2.14e-03 g/l ALOGPS melting_point Mp 109.5° (perchlorate) logp -0.9 ChemAxon pka_strongest_acidic 6.77 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium ChemAxon average_mass 314.3988 ChemAxon mono_mass 314.175618639 ChemAxon smiles COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1 ChemAxon formula C19H24NO3 ChemAxon inchi InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1 ChemAxon inchikey POJZOQWVMMYVBU-UHFFFAOYSA-O ChemAxon polar_surface_area 49.69 ChemAxon refractivity 103.29 ChemAxon polarizability 34.21 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 9527 Specdb::CMs 46911 Specdb::CMs 130384 Specdb::CMs 138118 Specdb::MsMs 287008 Specdb::MsMs 287009 Specdb::MsMs 287010 Specdb::MsMs 2756560 Specdb::MsMs 2756561 Specdb::MsMs 2756562 Specdb::NmrOneD 42922 Specdb::NmrOneD 42923 Specdb::NmrOneD 42924 Specdb::NmrOneD 42925 Specdb::NmrOneD 42926 Specdb::NmrOneD 42927 Specdb::NmrOneD 42928 Specdb::NmrOneD 42929 Specdb::NmrOneD 42930 Specdb::NmrOneD 42931 Specdb::NmrOneD 42932 Specdb::NmrOneD 42933 Specdb::NmrOneD 42934 Specdb::NmrOneD 42935 Specdb::NmrOneD 42936 Specdb::NmrOneD 42937 Specdb::NmrOneD 42938 Specdb::NmrOneD 42939 Specdb::NmrOneD 42940 Specdb::NmrOneD 42941 HMDB40697 #<Reference:0x000055ce321bfca0> Fruits Unknown generic