1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:07:59 UTC FDB013109 (S)-Codamine Minor constituent of opium. (S)-Codamine is found in opium poppy. (.+-.)-codamine (+)-Codamine Codamine Codamine, (.+-.)- DL-codamine C20H25NO4 343.4168 343.178358293 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol codamine 21040-59-5 COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1 InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3 OKORHWXYDBSYNO-UHFFFAOYSA-N 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 Dimethoxybenzenes Hydrocarbon derivatives Organopnictogen compounds Phenoxy compounds Tetrahydroisoquinolines Trialkylamines 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Dimethoxybenzene Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 3.20 ALOGPS logs -3.96 ALOGPS solubility 3.73e-02 g/l ALOGPS melting_point Mp 126-127° logp 3.25 ChemAxon pka_strongest_acidic 10.79 ChemAxon pka_strongest_basic 7.22 ChemAxon iupac 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol ChemAxon average_mass 343.4168 ChemAxon mono_mass 343.178358293 ChemAxon smiles COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1 ChemAxon formula C20H25NO4 ChemAxon inchi InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3 ChemAxon inchikey OKORHWXYDBSYNO-UHFFFAOYSA-N ChemAxon polar_surface_area 51.16 ChemAxon refractivity 98.32 ChemAxon polarizability 37.84 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84330 Specdb::MsMs 84331 Specdb::MsMs 84332 Specdb::MsMs 146160 Specdb::MsMs 146161 Specdb::MsMs 146162 Specdb::MsMs 2724815 Specdb::MsMs 2724816 Specdb::MsMs 2724817 Specdb::MsMs 2957508 Specdb::MsMs 2957509 Specdb::MsMs 2957510 Specdb::CMs 25371 Specdb::CMs 43948 Specdb::CMs 154682 HMDB34593 #<Reference:0x000055ce32f47c38> Opium poppy Type 1 specific Papaver somniferum 3469 bitter