1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019050 Curcumin dimer 2 Constituent of the rhizomes of Curcuma longa (turmeric). Curcumin dimer 2 is found in herbs and spices. C42H38O12 734.7439 734.23632668 (1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-[(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]hepta-1,4,6-trien-3-one (1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-[(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]hepta-1,4,6-trien-3-one COC1=CC(\C=C\C(=O)\C=C(/O)\C=C\C2=CC(OC)=C(O)C=C2)=CC2=C1OC(C2C(=O)\C=C(/O)\C=C\C1=CC(OC)=C(O)C=C1)C1=CC(OC)=C(O)C=C1 InChI=1S/C42H38O12/c1-50-36-18-24(8-14-32(36)46)5-11-28(43)22-29(44)13-7-26-17-31-40(35(49)23-30(45)12-6-25-9-15-33(47)37(19-25)51-2)41(54-42(31)39(20-26)53-4)27-10-16-34(48)38(21-27)52-3/h5-23,40-41,43,45-48H,1-4H3/b11-5+,12-6+,13-7+,28-22-,30-23- WMWGFPUXLILEPL-IFZVDEKFSA-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 heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2-arylbenzofuran flavonoids Acryloyl compounds Alkyl aryl ethers Anisoles Benzofurans Coumarans Enols Enones Hydrocarbon derivatives Ketones Lignans, neolignans and related compounds Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Coumaran Curcumin Enol Enone Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Styrene Vinylogous acid logp 5.55 ALOGPS logs -6.09 ALOGPS solubility 5.94e-04 g/l ALOGPS logp 6.73 ChemAxon pka_strongest_acidic 7.61 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-[(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]hepta-1,4,6-trien-3-one ChemAxon average_mass 734.7439 ChemAxon mono_mass 734.23632668 ChemAxon smiles COC1=CC(\C=C\C(=O)\C=C(/O)\C=C\C2=CC(OC)=C(O)C=C2)=CC2=C1OC(C2C(=O)\C=C(/O)\C=C\C1=CC(OC)=C(O)C=C1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C42H38O12 ChemAxon inchi InChI=1S/C42H38O12/c1-50-36-18-24(8-14-32(36)46)5-11-28(43)22-29(44)13-7-26-17-31-40(35(49)23-30(45)12-6-25-9-15-33(47)37(19-25)51-2)41(54-42(31)39(20-26)53-4)27-10-16-34(48)38(21-27)52-3/h5-23,40-41,43,45-48H,1-4H3/b11-5+,12-6+,13-7+,28-22-,30-23- ChemAxon inchikey WMWGFPUXLILEPL-IFZVDEKFSA-N ChemAxon polar_surface_area 181.44 ChemAxon refractivity 207.35 ChemAxon polarizability 78.8 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 767200 Specdb::CMs 767201 Specdb::CMs 767202 Specdb::CMs 767203 Specdb::CMs 767204 Specdb::CMs 767205 Specdb::CMs 767206 Specdb::CMs 767207 Specdb::CMs 767208 Specdb::CMs 767209 Specdb::CMs 767210 Specdb::CMs 767211 Specdb::CMs 767212 Specdb::CMs 767213 Specdb::CMs 767214 Specdb::CMs 767215 Specdb::CMs 767216 Specdb::CMs 767217 Specdb::CMs 767218 Specdb::CMs 767219 Specdb::CMs 767220 Specdb::CMs 767221 Specdb::CMs 767222 Specdb::CMs 767223 Specdb::CMs 767224 Specdb::MsMs 54549 Specdb::MsMs 54550 Specdb::MsMs 54551 Specdb::MsMs 121371 Specdb::MsMs 121372 Specdb::MsMs 121373 Specdb::MsMs 2736194 Specdb::MsMs 2736195 Specdb::MsMs 2736196 Specdb::MsMs 2968776 Specdb::MsMs 2968777 Specdb::MsMs 2968778 HMDB39451 #<Reference:0x000055ce32bd7f80> Herbs and Spices Unknown generic