1.0 2012-01-13 17:26:11 UTC 2025-11-19 02:59:29 UTC FDB029865 6-Hydroxyenterolactone A polyphenol metabolite detected in biological fluids [PhenolExplorer] C18H18O5 314.3325 314.115423686 (3R,4R)-3-[(2,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one (3R,4R)-3-[(2,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one OC1=CC(C[C@@H]2[C@@H](CC3=CC(O)=CC=C3)COC2=O)=C(O)C=C1 InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)16(13)9-12-8-15(20)4-5-17(12)21/h1-5,7-8,13,16,19-21H,6,9-10H2/t13-,16+/m0/s1 ZMNWDZAVQFERIQ-XJKSGUPXSA-N belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Dibenzylbutyrolactone lignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Hydroquinones Lignan lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzylbutyrolactone Gamma butyrolactone Hydrocarbon derivative Hydroquinone Lactone Lignan lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Tetrahydrofuran logp 2.58 ALOGPS logs -4.03 ALOGPS solubility 2.93e-02 g/l ALOGPS logp 3.3 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac (3R,4R)-3-[(2,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one ChemAxon average_mass 314.3325 ChemAxon mono_mass 314.115423686 ChemAxon smiles OC1=CC(C[C@@H]2[C@@H](CC3=CC(O)=CC=C3)COC2=O)=C(O)C=C1 ChemAxon formula C18H18O5 ChemAxon inchi InChI=1S/C18H18O5/c19-14-3-1-2-11(7-14)6-13-10-23-18(22)16(13)9-12-8-15(20)4-5-17(12)21/h1-5,7-8,13,16,19-21H,6,9-10H2/t13-,16+/m0/s1 ChemAxon inchikey ZMNWDZAVQFERIQ-XJKSGUPXSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 84.69 ChemAxon polarizability 32.48 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14166 Specdb::CMs 47483 Specdb::CMs 172920 Specdb::MsMs 297241 Specdb::MsMs 297242 Specdb::MsMs 297243 Specdb::MsMs 338713 Specdb::MsMs 338714 Specdb::MsMs 338715 Specdb::MsMs 2308311 Specdb::MsMs 2308312 Specdb::MsMs 2308313 Specdb::MsMs 2653802 Specdb::MsMs 2653803 Specdb::MsMs 2653804 HMDB41700 #<Reference:0x000055ce31f69488>