1.0 2012-01-13 17:26:05 UTC 2015-07-21 07:01:26 UTC FDB029841 4-Hydroxy-3,5,4'-trimethoxystilbene A polyphenol metabolite detected in biological fluids [PhenolExplorer] C17H18O4 286.3224 286.120509064 2,6-dimethoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol 2,6-dimethoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol COC1=CC=C(\C=C\C2=CC(OC)=C(O)C(OC)=C2)C=C1 InChI=1S/C17H18O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11,18H,1-3H3/b5-4+ KRJGXNAUJLJILU-SNAWJCMRSA-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 Alkyl aryl ethers Anisoles Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Stilbene Styrene logp 3.40 ALOGPS logs -4.55 ALOGPS solubility 8.14e-03 g/l ALOGPS logp 3.54 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2,6-dimethoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol ChemAxon average_mass 286.3224 ChemAxon mono_mass 286.120509064 ChemAxon smiles COC1=CC=C(\C=C\C2=CC(OC)=C(O)C(OC)=C2)C=C1 ChemAxon formula C17H18O4 ChemAxon inchi InChI=1S/C17H18O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11,18H,1-3H3/b5-4+ ChemAxon inchikey KRJGXNAUJLJILU-SNAWJCMRSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 82.88 ChemAxon polarizability 31.7 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23697 Specdb::CMs 47463 Specdb::CMs 133869 Specdb::CMs 141603 Specdb::MsMs 318538 Specdb::MsMs 318539 Specdb::MsMs 318540 Specdb::MsMs 365332 Specdb::MsMs 365333 Specdb::MsMs 365334 Specdb::MsMs 2675854 Specdb::MsMs 2675855 Specdb::MsMs 2675856 Specdb::MsMs 3029138 Specdb::MsMs 3029139 Specdb::MsMs 3029140 HMDB41680 #<Reference:0x000055ce3089fae0>