1.0 2016-05-26 00:24:34 UTC 2026-04-03 21:15:52 UTC Secoisolariciresinol SmallMolecule Secoisolariciresinol is an organic compound with the chemical formula C20H26O6 and an average molecular weight of 362.42 g/mol. Secoisolariciresinol belongs to the dibenzylbutanediol lignans, a subclass of dibenzylbutane lignans within the organic compounds. This compound has been identified in three recorded sources. It is associated with food, food processing, and cookware, specifically in the preparation of vinegar and the preparation of wort. Additionally, it is found in household cleaning and consumer products, specifically in cigar cigarettes. Phenolic Antioxidant C20H26O6 362.4168 362.172938564 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol secoisolariciresinol 29388-59-8 COC1=CC(CC(CO)C(CO)CC2=CC(OC)=C(O)C=C2)=CC=C1O InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3 PUETUDUXMCLALY-UHFFFAOYSA-N Organic compounds Lignans, neolignans and related compounds Dibenzylbutane lignans Dibenzylbutanediol lignans Dibenzylbutanediol lignans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Primary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Dibenzylbutanediol Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Primary alcohol Aromatic homomonocyclic compounds a lignan Detected and Not Quantified logp 2.05 ALOGPS logs -4.48 ALOGPS solubility 1.20e-02 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_acidic 9.96 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol ChemAxon average_mass 362.4168 ChemAxon mono_mass 362.172938564 ChemAxon smiles COC1=CC(CC(CO)C(CO)CC2=CC(OC)=C(O)C=C2)=CC=C1O ChemAxon formula C20H26O6 ChemAxon inchi InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3 ChemAxon inchikey PUETUDUXMCLALY-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 99.29 ChemAxon polarizability 38.77 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226be5c90> 65373 58845