1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019051 Curcumin dimer 3 Constituent of the rhizomes of Curcuma longa (turmeric). Curcumin dimer 3 is found in herbs and spices. C42H38O12 734.7439 734.23632668 (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(4E,5Z)-2-(4-hydroxy-3-methoxyphenyl)-5-[(3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-ylidene]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]penta-2,4-dien-1-one (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(4E,5Z)-2-(4-hydroxy-3-methoxyphenyl)-5-[(3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-ylidene]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]penta-2,4-dien-1-one COC1=CC(\C=C\C(\O)=C\C(=O)C2C(O\C(=C/C(=O)/C=C/C3=CC(OC)=C(O)C=C3)\C\2=C\C2=CC(OC)=C(O)C=C2)C2=CC=C(O)C(OC)=C2)=CC=C1O InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23- HJALWSMTAVUJGY-JBZHRJFQSA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Enols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Ketones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Styrenes Tetrahydrofurans 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 Enol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Linear 1,7-diphenylheptane skeleton Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Styrene Tetrahydrofuran Vinylogous acid Vinylogous ester logp 5.62 ALOGPS logs -5.97 ALOGPS solubility 7.89e-04 g/l ALOGPS logp 6.43 ChemAxon pka_strongest_acidic 7.86 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(4E,5Z)-2-(4-hydroxy-3-methoxyphenyl)-5-[(3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-ylidene]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]penta-2,4-dien-1-one ChemAxon average_mass 734.7439 ChemAxon mono_mass 734.23632668 ChemAxon smiles COC1=CC(\C=C\C(\O)=C\C(=O)C2C(O\C(=C/C(=O)/C=C/C3=CC(OC)=C(O)C=C3)\C\2=C\C2=CC(OC)=C(O)C=C2)C2=CC=C(O)C(OC)=C2)=CC=C1O ChemAxon formula C42H38O12 ChemAxon inchi InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23- ChemAxon inchikey HJALWSMTAVUJGY-JBZHRJFQSA-N ChemAxon polar_surface_area 181.44 ChemAxon refractivity 206.86 ChemAxon polarizability 78.35 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 12 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 72954 Specdb::CMs 767227 Specdb::CMs 767228 Specdb::CMs 767229 Specdb::CMs 767230 Specdb::CMs 767231 Specdb::CMs 767232 Specdb::CMs 767233 Specdb::CMs 767234 Specdb::CMs 767235 Specdb::CMs 767236 Specdb::CMs 767237 Specdb::CMs 767238 Specdb::CMs 767239 Specdb::CMs 767240 Specdb::CMs 767241 Specdb::CMs 767242 Specdb::CMs 767243 Specdb::CMs 767244 Specdb::CMs 767245 Specdb::CMs 767246 Specdb::CMs 767247 Specdb::CMs 767248 Specdb::CMs 767249 Specdb::CMs 767250 Specdb::MsMs 57039 Specdb::MsMs 57040 Specdb::MsMs 57041 Specdb::MsMs 112605 Specdb::MsMs 112606 Specdb::MsMs 112607 Specdb::MsMs 2289813 Specdb::MsMs 2289814 Specdb::MsMs 2289815 Specdb::MsMs 2648910 Specdb::MsMs 2648911 Specdb::MsMs 2648912 HMDB39452 #<Reference:0x000055ce32b797a0> Herbs and Spices Unknown generic