1.0 2010-04-08 22:10:57 UTC 2025-11-19 00:37:45 UTC FDB013874 Matairesinoside Matairesinoside is a member of the class of compounds known as lignan glycosides. Lignan glycosides are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Matairesinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Matairesinoside can be found in safflower, which makes matairesinoside a potential biomarker for the consumption of this food product. (-)-Matairesinoside Matairesinoside C26H32O11 520.5257 520.194461866 4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one 4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one 23202-85-9 COC1=CC(CC2C(CC3=CC(OC)=C(O)C=C3)COC2=O)=CC=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3 AAGCATAPYOEULE-UHFFFAOYSA-N belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Lignan glycosides Organic compounds Lignans, neolignans and related compounds Lignan glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Carbonyl compounds Carboxylic acid esters Dibenzylbutyrolactone lignans Fatty acyl glycosides of mono- and disaccharides Gamma butyrolactones Hydrocarbon derivatives Lignan lactones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 9,9p-epoxylignan Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzylbutyrolactone Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furanoid lignan Gamma butyrolactone Glycosyl compound Hydrocarbon derivative Lactone Lignan glycoside Lignan lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Tetrahydrofuran lignan logp 1.10 ALOGPS logs -3.20 ALOGPS solubility 3.32e-01 g/l ALOGPS melting_point Mp 93° logp 1.02 ChemAxon pka_strongest_acidic 9.94 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one ChemAxon average_mass 520.5257 ChemAxon mono_mass 520.194461866 ChemAxon smiles COC1=CC(CC2C(CC3=CC(OC)=C(O)C=C3)COC2=O)=CC=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C26H32O11 ChemAxon inchi InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3 ChemAxon inchikey AAGCATAPYOEULE-UHFFFAOYSA-N ChemAxon polar_surface_area 164.37 ChemAxon refractivity 127.78 ChemAxon polarizability 53.25 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72720 Specdb::MsMs 72721 Specdb::MsMs 72722 Specdb::MsMs 131706 Specdb::MsMs 131707 Specdb::MsMs 131708 Specdb::MsMs 3605641 Specdb::MsMs 3605642 Specdb::MsMs 3605643 Specdb::MsMs 3605644 Specdb::MsMs 3605645 Specdb::MsMs 3605646 Safflower Type 1 specific Carthamus tinctorius 4222