1.0 2010-04-08 22:10:31 UTC 2019-11-26 03:07:57 UTC FDB013092 8-O-Methyloblongine Alkaloid from stems of Litsea cubeba (mountain pepper). 8-O-Methyloblongine is found in fruits. (-)-8-O-Methyloblongine 8-O-Methyloblongine C20H26NO3 328.4253 328.191268703 1-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium 1-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium 152230-58-5 COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1 InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1 QZJMBSSODVCTRD-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 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 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 1.00 ALOGPS logs -6.02 ALOGPS solubility 3.51e-04 g/l ALOGPS melting_point Mp 102° (perchlorate) logp -0.75 ChemAxon pka_strongest_acidic 10.06 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium ChemAxon average_mass 328.4253 ChemAxon mono_mass 328.191268703 ChemAxon smiles COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1 ChemAxon formula C20H26NO3 ChemAxon inchi InChI=1S/C20H25NO3/c1-21(2)12-11-15-7-10-18(23-3)20(24-4)19(15)17(21)13-14-5-8-16(22)9-6-14/h5-10,17H,11-13H2,1-4H3/p+1 ChemAxon inchikey QZJMBSSODVCTRD-UHFFFAOYSA-O ChemAxon polar_surface_area 38.69 ChemAxon refractivity 107.77 ChemAxon polarizability 35.98 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 26051 Specdb::CMs 43939 Specdb::CMs 148303 Specdb::MsMs 323719 Specdb::MsMs 323720 Specdb::MsMs 323721 Specdb::MsMs 2613199 Specdb::MsMs 2613200 Specdb::MsMs 2613201 Specdb::NmrOneD 126738 Specdb::NmrOneD 126739 Specdb::NmrOneD 126740 Specdb::NmrOneD 126741 Specdb::NmrOneD 126742 Specdb::NmrOneD 126743 Specdb::NmrOneD 126744 Specdb::NmrOneD 126745 Specdb::NmrOneD 126746 Specdb::NmrOneD 126747 Specdb::NmrOneD 126748 Specdb::NmrOneD 126749 Specdb::NmrOneD 126750 Specdb::NmrOneD 126751 Specdb::NmrOneD 126752 Specdb::NmrOneD 126753 Specdb::NmrOneD 126754 Specdb::NmrOneD 126755 Specdb::NmrOneD 126756 Specdb::NmrOneD 126757 HMDB34579 #<Reference:0x000055ce32e15f18> Fruits Unknown generic