1.0 2010-04-08 22:15:30 UTC 2025-11-19 02:35:49 UTC FDB021154 Secoisotetrandrine Alkaloid from leaves of Laurelia sempervirens (Peruvian nutmeg). Secoisotetrandrine is found in herbs and spices. Secoisotetrandrine C38H40N2O8 652.7328 652.278466266 4-[5-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-2-methoxyphenoxy]benzaldehyde 4-[5-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl}methyl)-2-methoxyphenoxy]benzaldehyde 172924-26-4 COC1=C(OC2=CC=C(C=O)C=C2)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C(OC4=C(OC)C=C5CCN(C)C(=O)C5=C4)=C23)C=C1 InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3 RMEYIAJCROYLDU-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 Alkyl aryl ethers Amino acids and derivatives Anisoles Aralkylamines Azacyclic compounds Benzaldehydes Benzoyl derivatives Diarylethers Diphenylethers Hydrocarbon derivatives Isoquinolones and derivatives Lactams Methoxybenzenes Organic oxides Organopnictogen compounds Phenoxy compounds Tertiary carboxylic acid amides Tetrahydroisoquinolines Trialkylamines Aldehyde Alkyl aryl ether Amine Amino acid or derivatives Anisole Aralkylamine Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Benzaldehyde Benzenoid Benzoyl Benzylisoquinoline Carboxamide group Carboxylic acid derivative Diaryl ether Diphenylether Ether Hydrocarbon derivative Isoquinolone Lactam Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Tertiary aliphatic amine Tertiary amine Tertiary carboxylic acid amide Tetrahydroisoquinoline logp 4.81 ALOGPS logs -5.32 ALOGPS solubility 3.15e-03 g/l ALOGPS logp 5.45 ChemAxon pka_strongest_basic 8.04 ChemAxon iupac 4-[5-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-2-methoxyphenoxy]benzaldehyde ChemAxon average_mass 652.7328 ChemAxon mono_mass 652.278466266 ChemAxon smiles COC1=C(OC2=CC=C(C=O)C=C2)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C(OC4=C(OC)C=C5CCN(C)C(=O)C5=C4)=C23)C=C1 ChemAxon formula C38H40N2O8 ChemAxon inchi InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3 ChemAxon inchikey RMEYIAJCROYLDU-UHFFFAOYSA-N ChemAxon polar_surface_area 96 ChemAxon refractivity 184.05 ChemAxon polarizability 69.67 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 297682 Specdb::MsMs 297683 Specdb::MsMs 297684 Specdb::MsMs 339265 Specdb::MsMs 339266 Specdb::MsMs 339267 Specdb::MsMs 2842242 Specdb::MsMs 2842243 Specdb::MsMs 2842244 Specdb::MsMs 2866227 Specdb::MsMs 2866228 Specdb::MsMs 2866229 HMDB41246 #<Reference:0x000055ce32085bc8> Herbs and Spices Unknown generic