1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:46 UTC FDB011932 Elemicin Constituent 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)-benzene 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI 1,2,3-Trimethoxy-5-[2-propenyl]-benzene 1,2,3-trimethoxy-5-allylbenzene (elemicin) 3,4, 5-Trimethoxyallylbenzene 3,4,5-Trimethoxyallylbenzene 4-allyl-1,2,6-trimethoxybenzene 5-Allyl-1,2,3-trimethoxy-benzene 5-Allyl-1,2,3-trimethoxybenzene Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI) Benzene, 5-(2-propenyl)-1,2,3-trimethoxy Benzene, 5-allyl-1,2,3-trimethoxy- Elemicin Elemicine C12H16O3 208.2536 208.109944378 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene elemicin 487-11-6 COC1=CC(CC=C)=CC(OC)=C1OC InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 BPLQKQKXWHCZSS-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Monolignols olefinic compound logp 3.03 ALOGPS logs -3.16 ALOGPS solubility 1.44e-01 g/l ALOGPS logp 2.6 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles COC1=CC(CC=C)=CC(OC)=C1OC ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 ChemAxon inchikey BPLQKQKXWHCZSS-UHFFFAOYSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 59.73 ChemAxon polarizability 22.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1605 Specdb::MsIr 6262 Specdb::MsIr 6263 Specdb::CMs 14662 Specdb::CMs 157625 Specdb::MsMs 103242 Specdb::MsMs 103243 Specdb::MsMs 103244 Specdb::MsMs 169224 Specdb::MsMs 169225 Specdb::MsMs 169226 Specdb::MsMs 2321950 Specdb::MsMs 2321951 Specdb::MsMs 2321952 Specdb::MsMs 2613541 Specdb::MsMs 2613542 Specdb::MsMs 2613543 HMDB33778 #<Reference:0x000055ac408a92c8> Banana Type 1 specific Musa acuminata 4641 Blackberry Type 1 specific Rubus Carrot Type 1 specific Daucus carota ssp. sativus 79200 200.0 200.0 200.0 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Evergreen blackberry Type 1 specific Rubus laciniatus Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089 176.0 176.0 176.0 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 41.95 82.1 1.8 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Tarragon Type 1 specific Artemisia dracunculus 72341 Wild carrot Type 1 specific Daucus carota 4039 200.0 200.0 200.0 mg/100 g flower spice anti aggregant 94 anti depressant 223 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti feedant 275 anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. anti serotonic 607 anti stress 632 Any substance introduced into a living organism with therapeutic or diagnostic purpose. DNA-binder 886 fungicide 940 A substance used to destroy fungal pests. hallucinogenic 968 hypotensive 1021 insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. larvicide 1063 neurotoxic 1160 A poison that interferes with the functions of the nervous system. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. schistosomicide 1303