1.0 2012-01-13 17:25:56 UTC 2015-07-21 07:01:15 UTC FDB029809 3'-Hydroxy-3,4,5,4'-tetramethoxystilbene A polyphenol metabolite detected in biological fluids [PhenolExplorer] C17H18O5 302.3218 302.115423686 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-(hydroxymethyl)-2-methoxyphenol 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-(hydroxymethyl)-2-methoxyphenol COC1=CC=C(\C=C\C2=CC(O)=C(OC)C(CO)=C2)C=C1O InChI=1S/C17H18O5/c1-21-16-6-5-11(8-14(16)19)3-4-12-7-13(10-18)17(22-2)15(20)9-12/h3-9,18-20H,10H2,1-2H3/b4-3+ DLSNLGWOPCTNJJ-ONEGZZNKSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aromatic alcohols Benzyl alcohols Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Primary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Benzyl alcohol Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Primary alcohol Stilbene Styrene logp 2.23 ALOGPS logs -3.98 ALOGPS solubility 3.18e-02 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 9.46 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-(hydroxymethyl)-2-methoxyphenol ChemAxon average_mass 302.3218 ChemAxon mono_mass 302.115423686 ChemAxon smiles COC1=CC=C(\C=C\C2=CC(O)=C(OC)C(CO)=C2)C=C1O ChemAxon formula C17H18O5 ChemAxon inchi InChI=1S/C17H18O5/c1-21-16-6-5-11(8-14(16)19)3-4-12-7-13(10-18)17(22-2)15(20)9-12/h3-9,18-20H,10H2,1-2H3/b4-3+ ChemAxon inchikey DLSNLGWOPCTNJJ-ONEGZZNKSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 85.22 ChemAxon polarizability 32.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18843 Specdb::CMs 47437 Specdb::CMs 160262 Specdb::MsMs 307867 Specdb::MsMs 307868 Specdb::MsMs 307869 Specdb::MsMs 351916 Specdb::MsMs 351917 Specdb::MsMs 351918 Specdb::MsMs 3056990 Specdb::MsMs 3056991 Specdb::MsMs 3056992 Specdb::MsMs 3113375 Specdb::MsMs 3113376 Specdb::MsMs 3113377 HMDB41653 #<Reference:0x000055ce30c546b8>