1.0 2010-04-08 22:05:12 UTC 2025-11-18 22:34:30 UTC FDB002030 Laudanine Alkaloid from Papaver somniferum (opium poppy). Laudanine is found in opium poppy. Laudanine C20H25NO4 343.4168 343.178358293 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol laudanine 301-21-3 COC1=C(O)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1 InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3 MPYHGNAJOKCMAQ-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 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organopnictogen compounds Phenoxy compounds Tetrahydroisoquinolines Trialkylamines 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 Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Isoquinoline alkaloids aromatic ether benzylisoquinoline alkaloid benzyltetrahydroisoquinoline phenols logp 3.19 ALOGPS logs -3.96 ALOGPS solubility 3.75e-02 g/l ALOGPS melting_point Mp 166-167° logp 3.13 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic 8.27 ChemAxon iupac 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol ChemAxon average_mass 343.4168 ChemAxon mono_mass 343.178358293 ChemAxon smiles COC1=C(O)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1 ChemAxon formula C20H25NO4 ChemAxon inchi InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3 ChemAxon inchikey MPYHGNAJOKCMAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 51.16 ChemAxon refractivity 98.32 ChemAxon polarizability 37.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23505 Specdb::CMs 41823 Specdb::CMs 147981 Specdb::MsMs 94839 Specdb::MsMs 94840 Specdb::MsMs 94841 Specdb::MsMs 158964 Specdb::MsMs 158965 Specdb::MsMs 158966 Specdb::MsMs 2292273 Specdb::MsMs 2292274 Specdb::MsMs 2292275 Specdb::MsMs 2646525 Specdb::MsMs 2646526 Specdb::MsMs 2646527 HMDB30211 #<Reference:0x000055ce32f2f138> Opium poppy Type 1 specific Papaver somniferum 3469