1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:35 UTC FDB018023 Litebamine Alkaloid from Litsea cubeba (mountain pepper). Litebamine is found in fruits. 1,2,3,4-Tetrahydro-9,11-dimethoxy-2-methylnaphth[2,1-f]isoquinoline-8,12-diol, 9CI C20H21NO4 339.385 339.147058165 9,13-dimethoxy-5-methyl-5-azatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1,7,9,11,13,15,17-heptaene-8,14-diol 9,13-dimethoxy-5-methyl-5-azatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1,7,9,11,13,15,17-heptaene-8,14-diol 137031-56-2 COC1=C(O)C=C2C=CC3=C4CCN(C)CC4=C(O)C(OC)=C3C2=C1 InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3 QOWFEPGZJDCIKG-UHFFFAOYSA-N belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. Phenanthrols Organic compounds Benzenoids Phenanthrenes and derivatives Phenanthrols Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Tetrahydroisoquinolines Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrol Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 3.04 ALOGPS logs -3.74 ALOGPS solubility 6.13e-02 g/l ALOGPS melting_point Mp 218-220° logp 2.81 ChemAxon pka_strongest_acidic 8.99 ChemAxon pka_strongest_basic 7.46 ChemAxon iupac 9,13-dimethoxy-5-methyl-5-azatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1,7,9,11,13,15,17-heptaene-8,14-diol ChemAxon average_mass 339.385 ChemAxon mono_mass 339.147058165 ChemAxon smiles COC1=C(O)C=C2C=CC3=C4CCN(C)CC4=C(O)C(OC)=C3C2=C1 ChemAxon formula C20H21NO4 ChemAxon inchi InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3 ChemAxon inchikey QOWFEPGZJDCIKG-UHFFFAOYSA-N ChemAxon polar_surface_area 62.16 ChemAxon refractivity 97.7 ChemAxon polarizability 36.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14533 Specdb::CMs 45948 Specdb::CMs 135537 Specdb::CMs 143271 Specdb::MsMs 51747 Specdb::MsMs 51748 Specdb::MsMs 51749 Specdb::MsMs 111684 Specdb::MsMs 111685 Specdb::MsMs 111686 Specdb::MsMs 2472276 Specdb::MsMs 2472277 Specdb::MsMs 2472278 Specdb::MsMs 2490000 Specdb::MsMs 2490001 Specdb::MsMs 2490002 HMDB38629 #<Reference:0x000055ce31eb2b98> Fruits Unknown generic