1.02010-04-08 22:04:50 UTC2020-02-24 19:10:19 UTCFDB001096IsoelemicinConstituent of oil of nutmeg. Isoelemicin is found in ucuhuba and herbs and spices.(E)-Isoelemicin(E)-isoelemicine1,2,3-Trimethoxy-5-(1-propenyl)-(e)-benzene1,2,3-Trimethoxy-5-(1-propenyl)-benzene1,2,3-Trimethoxy-5-(1-propenyl)benzene1,2,3-Trimethoxy-5-[(1E)-1-propenyl]benzeneIsoelemicintrans-Isoelemicintrans-IsoelemicineC12H16O3208.2536208.1099443781,2,3-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene1,2,3-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene5273-85-8COC1=CC(\C=C\C)=CC(OC)=C1OCInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+RRXOQHQFJOQLQR-AATRIKPKSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.AnisolesOrganic compoundsBenzenoidsPhenol ethersAnisolesAromatic homomonocyclic compoundsAlkyl aryl ethersHydrocarbon derivativesMethoxybenzenesPhenoxy compoundsStyrenesAlkyl aryl etherAnisoleAromatic homomonocyclic compoundEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenoxy compoundStyreneolefinic compoundlogp3.32logs-2.76solubility3.61e-01 g/llogp2.62pka_strongest_basic-4.4iupac1,2,3-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzeneaverage_mass208.2536mono_mass208.109944378smilesCOC1=CC(\C=C\C)=CC(OC)=C1OCformulaC12H16O3inchiInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+inchikeyRRXOQHQFJOQLQR-AATRIKPKSA-Npolar_surface_area27.69refractivity60.81polarizability23.28rotatable_bond_count4acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs18434Specdb::CMs161321Specdb::MsIr3754Specdb::MsIr3755Specdb::MsMs59319Specdb::MsMs59320Specdb::MsMs59321Specdb::MsMs115431Specdb::MsMs115432Specdb::MsMs115433Specdb::MsMs2400837Specdb::MsMs2400838Specdb::MsMs2400839Specdb::MsMs2537900Specdb::MsMs2537901Specdb::MsMs2537902HMDB29867#<Reference:0x0000555675a8ea50>Herbs and SpicesUnknowngenericUcuhubaType 1specificVirola surinamensis224910flowerspice