1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:06 UTC FDB018386 5'-Methoxycurcumin Constituent of Curcuma xanthorrhiza (Java turmeric). 5'-Methoxycurcumin is found in herbs and spices, beverages, and root vegetables. 5'-Methoxycurcumin C22H22O7 398.4059 398.136553058 (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+ MQJGAHXKAZGEGI-NSLJXJERSA-N belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Curcuminoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Beta-diketones Dimethoxybenzenes Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Ketones Methoxyphenols Organic oxides Phenoxy compounds Styrenes 1,3-dicarbonyl compound 1,3-diketone 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Curcumin Dimethoxybenzene Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 3.57 ALOGPS logs -4.84 ALOGPS solubility 5.79e-03 g/l ALOGPS melting_point Mp 145-146° logp 3.97 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione ChemAxon average_mass 398.4059 ChemAxon mono_mass 398.136553058 ChemAxon smiles COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O ChemAxon formula C22H22O7 ChemAxon inchi InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+ ChemAxon inchikey MQJGAHXKAZGEGI-NSLJXJERSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 110.27 ChemAxon polarizability 41.09 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21520 Specdb::CMs 46148 Specdb::CMs 160824 Specdb::MsMs 44340 Specdb::MsMs 44341 Specdb::MsMs 44342 Specdb::MsMs 144069 Specdb::MsMs 144070 Specdb::MsMs 144071 Specdb::MsMs 3038435 Specdb::MsMs 3038436 Specdb::MsMs 3038437 Specdb::MsMs 3101286 Specdb::MsMs 3101287 Specdb::MsMs 3101288 HMDB38921 #<Reference:0x000055ce32a8fdf8> Beverages Unknown generic Herbs and Spices Unknown generic Root vegetables Unknown generic