1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019049 Curcumin dimer 1 Constituent of the rhizomes of Curcuma longa (turmeric). Curcumin dimer 1 is found in herbs and spices. C42H38O12 734.7439 734.23632668 (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrofuran-3-yl]penta-2,4-dien-1-one (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrofuran-3-yl]penta-2,4-dien-1-one COC1=C(O)C=CC(\C=C\C(\O)=C\C(=O)C2C(OC(\C=C\C3=CC(OC)=C(O)C=C3)=C2C(=O)\C=C\C2=CC(OC)=C(O)C=C2)C2=CC(OC)=C(O)C=C2)=C1 InChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23- YOTQIACVMONCAH-QWCKBZOHSA-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Dihydrofurans Enols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Ketones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Styrenes Vinylogous acids Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Curcumin Dihydrofuran Enol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Styrene Vinylogous acid Vinylogous ester logp 5.59 ALOGPS logs -6.03 ALOGPS solubility 6.85e-04 g/l ALOGPS logp 6.58 ChemAxon pka_strongest_acidic 7.9 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrofuran-3-yl]penta-2,4-dien-1-one ChemAxon average_mass 734.7439 ChemAxon mono_mass 734.23632668 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(\O)=C\C(=O)C2C(OC(\C=C\C3=CC(OC)=C(O)C=C3)=C2C(=O)\C=C\C2=CC(OC)=C(O)C=C2)C2=CC(OC)=C(O)C=C2)=C1 ChemAxon formula C42H38O12 ChemAxon inchi InChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23- ChemAxon inchikey YOTQIACVMONCAH-QWCKBZOHSA-N ChemAxon polar_surface_area 181.44 ChemAxon refractivity 206.94 ChemAxon polarizability 78.06 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 72977 Specdb::CMs 767173 Specdb::CMs 767174 Specdb::CMs 767175 Specdb::CMs 767176 Specdb::CMs 767177 Specdb::CMs 767178 Specdb::CMs 767179 Specdb::CMs 767180 Specdb::CMs 767181 Specdb::CMs 767182 Specdb::CMs 767183 Specdb::CMs 767184 Specdb::CMs 767185 Specdb::CMs 767186 Specdb::CMs 767187 Specdb::CMs 767188 Specdb::CMs 767189 Specdb::CMs 767190 Specdb::CMs 767191 Specdb::CMs 767192 Specdb::CMs 767193 Specdb::CMs 767194 Specdb::CMs 767195 Specdb::CMs 767196 Specdb::MsMs 96396 Specdb::MsMs 96397 Specdb::MsMs 96398 Specdb::MsMs 160872 Specdb::MsMs 160873 Specdb::MsMs 160874 Specdb::MsMs 2460007 Specdb::MsMs 2460008 Specdb::MsMs 2460009 Specdb::MsMs 2476034 Specdb::MsMs 2476035 Specdb::MsMs 2476036 HMDB39450 #<Reference:0x00007f093c183520> Herbs and Spices Unknown generic