1.02010-04-08 22:11:04 UTC2019-11-26 03:09:29 UTCFDB014079Isogingerenone BConstituent of Zingiber officinale (ginger). Isogingerenone B is found in herbs and spices and ginger.1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-oneIsogingerenone BC22H26O6386.4382386.172938564(4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one(4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one128700-99-2COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1OInChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+GCCMDTDROAUVAS-FNORWQNLSA-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 diarylheptanoidsOrganic compoundsPhenylpropanoids and polyketidesDiarylheptanoidsLinear diarylheptanoidsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAcryloyl compoundsAlkyl aryl ethersAnisolesDimethoxybenzenesEnonesHydrocarbon derivativesKetonesOrganic oxidesPhenoxy compoundsShogaols1-hydroxy-2-unsubstituted benzenoidAcryloyl-groupAlkyl aryl etherAlpha,beta-unsaturated ketoneAnisoleAromatic homomonocyclic compoundBenzenoidCarbonyl groupDimethoxybenzeneEnoneEtherHydrocarbon derivativeKetoneLinear 1,7-diphenylheptane skeletonM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolPhenol etherPhenoxy compoundShogaollogp4.15logs-5.03solubility3.60e-03 g/llogp4.47pka_strongest_acidic9.29pka_strongest_basic-4.2iupac(4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-oneaverage_mass386.4382mono_mass386.172938564smilesCOC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1OformulaC22H26O6inchiInChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+inchikeyGCCMDTDROAUVAS-FNORWQNLSA-Npolar_surface_area85.22refractivity108.49polarizability42.52rotatable_bond_count10acceptor_count6donor_count2physiological_charge0formal_charge0Specdb::CMs22154Specdb::CMs44377Specdb::CMs167830Specdb::MsMs88104Specdb::MsMs88105Specdb::MsMs88106Specdb::MsMs150768Specdb::MsMs150769Specdb::MsMs150770Specdb::MsMs2424655Specdb::MsMs2424656Specdb::MsMs2424657Specdb::MsMs2514889Specdb::MsMs2514890Specdb::MsMs2514891HMDB35404#<Reference:0x00005556764157b8>GingerType 1specificZingiber officinale943280.470.470.47mg/100 gHerbs and SpicesUnknowngenericfungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.