2.02015-09-18 17:30:02 -06002015-09-18 17:30:02 -0600ECMDB24916M2MDB007033DihydrocurcuminC21H22O6370.3958370.141638436(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dioneCOC1=CC(\C=C\C(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1OInChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-12,24-25H,4,8,13H2,1-2H3/b7-3+MUYJSOCNDLUHPJ-XVNBXDOJSA-Nlogp3.50logs-4.85solubility5.28e-03 g/llogp4.04pka_strongest_acidic9.17pka_strongest_basic-4.5iupac(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dioneaverage_mass370.3958mono_mass370.141638436smilesCOC1=CC(\C=C\C(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1OformulaC21H22O6inchiInChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-12,24-25H,4,8,13H2,1-2H3/b7-3+inchikeyMUYJSOCNDLUHPJ-XVNBXDOJSA-Npolar_surface_area93.06refractivity102.72polarizability38.95rotatable_bond_count9acceptor_count6donor_count2physiological_charge0formal_charge0curcumin degradationCurcumin is metabolized by being reduced through a NADPH dependent curcumin reductase resulting in a dihydrocurcumin. This compound is then reduced again through a NADPH-dependent dihydrocurcumin reductase resulting in a tetrahydrocurcumin. It is not know yet how this compound enters E.coliPW001896MetabolicSpecdb::CMs15199Specdb::CMs42525Specdb::CMs147566Specdb::NmrOneD284189Specdb::NmrOneD284190Specdb::NmrOneD284191Specdb::NmrOneD284192Specdb::NmrOneD284193Specdb::NmrOneD284194Specdb::NmrOneD284195Specdb::NmrOneD284196Specdb::NmrOneD284197Specdb::NmrOneD284198Specdb::NmrOneD284199Specdb::NmrOneD284200Specdb::NmrOneD284201Specdb::NmrOneD284202Specdb::NmrOneD284203Specdb::NmrOneD284204Specdb::NmrOneD284205Specdb::NmrOneD284206Specdb::NmrOneD284207Specdb::NmrOneD284208Specdb::MsMs80493Specdb::MsMs80494Specdb::MsMs80495Specdb::MsMs141381Specdb::MsMs141382Specdb::MsMs141383Specdb::MsMs3055085Specdb::MsMs3055086Specdb::MsMs3055087Specdb::MsMs3111437Specdb::MsMs3111438Specdb::MsMs3111439Curcumin + Hydrogen ion + NADPH + curcumin + NADPH > NADP + Dihydrocurcumin + DihydrocurcuminPW_R005204Dihydrocurcumin + Hydrogen ion + NADPH + Dihydrocurcumin + NADPH > Tetrahydrocurcumin + NADPPW_R005205