1.0 2010-04-08 22:07:52 UTC 2020-02-24 19:10:48 UTC FDB008006 trans-Isoasarone Constituent of Asarum subspecies and carrot seed (Daucus carota) (CCD). trans-Isoasarone is found in wild carrot and carrot. (E)-2,4,5-Trimethoxypropenylbenzene (E)-Asarone 1,2,4-Trimethoxy-5-(1-propenyl)-(e)-benzene 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene 1,2,4-Trimethoxy-5-propenyl-(e)-benzene 1,2,4-Trimethoxy-5-propenyl-trans-benzene alpha-Asarone Asarone Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)- Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)- Benzene, 1,2,4-trimethoxy-5-propenyl-, trans- Isoasaron (6CI) Trans-(α)-asarone trans-(alpha )-Asarone trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene trans-2,4,5-Trimethoxypropenylbenzene Trans-asarone trans-Isoasaron C12H16O3 208.2536 208.109944378 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene asarone 2883-98-9 COC1=CC(OC)=C(\C=C\C)C=C1OC InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ RKFAZBXYICVSKP-AATRIKPKSA-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 Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Styrene asarone logp 3.35 ALOGPS logs -2.78 ALOGPS solubility 3.49e-01 g/l ALOGPS melting_point 62-63 oC logp 2.62 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles COC1=CC(OC)=C(\C=C\C)C=C1OC ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ ChemAxon inchikey RKFAZBXYICVSKP-AATRIKPKSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 60.81 ChemAxon polarizability 23.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4475 Specdb::MsIr 4476 Specdb::CMs 14342 Specdb::CMs 132705 Specdb::CMs 140439 Specdb::MsMs 66657 Specdb::MsMs 66658 Specdb::MsMs 66659 Specdb::MsMs 124269 Specdb::MsMs 124270 Specdb::MsMs 124271 Specdb::MsMs 2356647 Specdb::MsMs 2356648 Specdb::MsMs 2356649 Specdb::MsMs 2609459 Specdb::MsMs 2609460 Specdb::MsMs 2609461 HMDB31469 #<Reference:0x000055ce328894f0> #<Reference:0x000055ce32888dc0> Carrot Type 1 specific Daucus carota ssp. sativus 79200 40.0 40.0 40.0 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 40.0 40.0 40.0 mg/100 g Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti convulsant 204 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Anti-epileptic 251 Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Bronchospasmolytic 743 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Cardiodepressant 766 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Emetic 899 Fungicide 940 A substance used to destroy fungal pests. Hypothalamic depressant 1022 Mutagenic 1125 Myorelaxant 1134 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. Psychoactive 1268 A loosely defined grouping of drugs that have effects on psychological function. Secretolytic 1309 Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Tranquilizer 1373