1.02010-04-08 22:09:54 UTC2019-11-26 03:05:46 UTCFDB011932ElemicinConstituent of Elemi oil and Myristica fragrans (nutmeg). Elemicin is found in many foods, some of which are nutmeg, carrot, parsley, and tarragon.1,2,3-Trimethoxy-5-(2-propenyl)-benzene1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI1,2,3-Trimethoxy-5-[2-propenyl]-benzene1,2,3-trimethoxy-5-allylbenzene (elemicin)3,4, 5-Trimethoxyallylbenzene3,4,5-Trimethoxyallylbenzene4-allyl-1,2,6-trimethoxybenzene5-Allyl-1,2,3-trimethoxy-benzene5-Allyl-1,2,3-trimethoxybenzeneBenzene, 1,2,3-trimethoxy-5-(2-propenyl)-Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI)Benzene, 5-(2-propenyl)-1,2,3-trimethoxyBenzene, 5-allyl-1,2,3-trimethoxy-ElemicinElemicineC12H16O3208.2536208.1099443781,2,3-trimethoxy-5-(prop-2-en-1-yl)benzeneelemicin487-11-6COC1=CC(CC=C)=CC(OC)=C1OCInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3BPLQKQKXWHCZSS-UHFFFAOYSA-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 compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenoxy compoundMonolignolsolefinic compoundlogp3.03logs-3.16solubility1.44e-01 g/llogp2.6pka_strongest_basic-4.4iupac1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzeneaverage_mass208.2536mono_mass208.109944378smilesCOC1=CC(CC=C)=CC(OC)=C1OCformulaC12H16O3inchiInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3inchikeyBPLQKQKXWHCZSS-UHFFFAOYSA-Npolar_surface_area27.69refractivity59.73polarizability22.73rotatable_bond_count5acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::EiMs1605Specdb::CMs14662Specdb::CMs157625Specdb::MsIr6262Specdb::MsIr6263Specdb::MsMs103242Specdb::MsMs103243Specdb::MsMs103244Specdb::MsMs169224Specdb::MsMs169225Specdb::MsMs169226Specdb::MsMs2321950Specdb::MsMs2321951Specdb::MsMs2321952Specdb::MsMs2613541Specdb::MsMs2613542Specdb::MsMs2613543HMDB33778#<Reference:0x00005556742553f8>BananaType 1specificMusa acuminata4641BlackberryType 1specificRubusCarrotType 1specificDaucus carota ssp. sativus79200200.0200.0200.0mg/100 gDillType 1specificAnethum graveolens40922Evergreen blackberryType 1specificRubus laciniatusHerbs and SpicesUnknowngenericNutmegType 1specificMyristica fragrans51089176.0176.0176.0mg/100 gParsleyType 1specificPetroselinum crispum404341.9582.11.8mg/100 gSweet bayType 1specificLaurus nobilis85223TarragonType 1specificArtemisia dracunculus72341Wild carrotType 1specificDaucus carota4039200.0200.0200.0mg/100 gflowerspiceanti aggregant94anti depressant223Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti feedant275anti histaminic331Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.anti serotonic607anti stress632Any substance introduced into a living organism with therapeutic or diagnostic purpose.DNA-binder886fungicide940A substance used to destroy fungal pests.hallucinogenic968hypotensive1021insecticide1040Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.insectifuge1041Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.larvicide1063neurotoxic1160A poison that interferes with the functions of the nervous system.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.schistosomicide1303