1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:27 UTC FDB018655 Elenaic acid Isolated from olives (Olea europaea) leaves and fruits. Elenaic acid is found in many foods, some of which are herbs and spices, olive, fats and oils, and fruits. 3-Formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-2H-pyran-4-acetic acid, 9CI Elenolic acid C11H14O6 242.2253 242.07903818 2-[3-formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid elenolic acid 34422-12-3 COC(=O)C1=COC(C)C(C=O)C1CC(O)=O InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14) MQFAJBBHEYTHKF-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic heteromonocyclic compounds Aldehydes Carboxylic acids Enoate esters Hydrocarbon derivatives Methyl esters Organic oxides Oxacyclic compounds Vinylogous esters Aldehyde Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous ester logp 0.97 ALOGPS logs -1.23 ALOGPS solubility 1.42e+01 g/l ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 4.05 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-[3-formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid ChemAxon average_mass 242.2253 ChemAxon mono_mass 242.07903818 ChemAxon smiles COC(=O)C1=COC(C)C(C=O)C1CC(O)=O ChemAxon formula C11H14O6 ChemAxon inchi InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14) ChemAxon inchikey MQFAJBBHEYTHKF-UHFFFAOYSA-N ChemAxon polar_surface_area 89.9 ChemAxon refractivity 56.41 ChemAxon polarizability 22.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10671 Specdb::CMs 46279 Specdb::CMs 136879 Specdb::CMs 144613 Specdb::MsMs 8813 Specdb::MsMs 8814 Specdb::MsMs 8815 Specdb::MsMs 15485 Specdb::MsMs 15486 Specdb::MsMs 15487 Specdb::MsMs 2443639 Specdb::MsMs 2443640 Specdb::MsMs 2443641 Specdb::MsMs 2521914 Specdb::MsMs 2521915 Specdb::MsMs 2521916 Specdb::NmrOneD 31342 Specdb::NmrOneD 31343 Specdb::NmrOneD 31344 Specdb::NmrOneD 31345 Specdb::NmrOneD 31346 Specdb::NmrOneD 31347 Specdb::NmrOneD 31348 Specdb::NmrOneD 31349 Specdb::NmrOneD 31350 Specdb::NmrOneD 31351 Specdb::NmrOneD 31352 Specdb::NmrOneD 31353 Specdb::NmrOneD 31354 Specdb::NmrOneD 31355 Specdb::NmrOneD 31356 Specdb::NmrOneD 31357 Specdb::NmrOneD 31358 Specdb::NmrOneD 31359 Specdb::NmrOneD 31360 Specdb::NmrOneD 31361 HMDB39136 #<Reference:0x000055ce31d88f60> Fats and oils Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic Olive Type 1 specific Olea europaea 4146 Hypotensive 1021