1.0 2010-04-08 22:05:39 UTC 2019-11-26 02:58:29 UTC FDB003107 Coronaric acid Found in Chrysanthemum coronarium (chop-suey greens) and some other seed oil. Isolated from rice plant, Fukuyuki. (+/-)-9(10)-epoxy-12Z-octadecenoate (+/-)-9(10)-epoxy-12Z-octadecenoic acid (9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid 9,10-EOA 9,10-Epoxy-12Z-octadecenoate 9,10-Epoxy-12Z-octadecenoic acid 9,10-Epoxyoctadec-12(Z)-enoate 9,10-Epoxyoctadec-12(Z)-enoic acid 9,10-Epoxyoctadecenoate 9,10-Epoxyoctadecenoic acid 9(10)-EpOME 9(10)-Epoxyoctadec-12Z-enoate 9(10)-Epoxyoctadec-12Z-enoic acid Coronarate Coronaric acid C18H32O3 296.4449 296.23514489 8-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid 8-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid 16833-56-0 CCCCC\C=C\CC1OC1CCCCCCCC(O)=O InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+ FBUKMFOXMZRGRB-JXMROGBWSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Other Octadecanoids Solid logp 6.35 ALOGPS logs -5.77 ALOGPS solubility 5.02e-04 g/l ALOGPS logp 5.48 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 8-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid ChemAxon average_mass 296.4449 ChemAxon mono_mass 296.23514489 ChemAxon smiles CCCCC\C=C\CC1OC1CCCCCCCC(O)=O ChemAxon formula C18H32O3 ChemAxon inchi InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+ ChemAxon inchikey FBUKMFOXMZRGRB-JXMROGBWSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 86.92 ChemAxon polarizability 37.68 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95883 Specdb::MsMs 95884 Specdb::MsMs 95885 Specdb::MsMs 160251 Specdb::MsMs 160252 Specdb::MsMs 160253 HMDB04701 #<Reference:0x000055ce335cb550> #<Reference:0x000055ce335cb398> #<Reference:0x000055ce335cb1e0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Garland chrysanthemum Type 1 specific Chrysanthemum coronarium 99038 Herbs and Spices Unknown generic Rice Type 1 specific Oryza sativa 4530 0.01 0.01 0.01 mg/100 g Cytochrome P450 2D6 Q6NWU0 CYP2D6 Cytochrome P450, family 1, subfamily A, polypeptide 1 A0N0X8 CYP1A1