1.02010-04-08 22:04:32 UTC2020-02-24 19:10:06 UTCFDB0003463,4-DHPEA-EA3,4-DHPEA-EA is the major form of the oleuropein-aglycone. 3,4-DHPEA-EA is found in olive.3,4-DHPEA-Elenolic acid mono-aldehydeOleuropein-aglycone mono-aldehydeC19H22O8378.3732378.13146768methyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylatemethyl (4S,5Z,6R)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-hydroxy-4,6-dihydropyran-3-carboxylateCOC(=O)C1=CO[C@@H](O)\C(=C/C)[C@@H]1CC(=O)OCCC1=CC=C(O)C(O)=C1InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-/t13-,19+/m0/s1BIWKXNFEOZXNLX-SQOYHTLWSA-N belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.Iridoids and derivativesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAromatic heteromonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAromatic monoterpenoidsBenzene and substituted derivativesCarbonyl compoundsCatecholsDicarboxylic acids and derivativesEnoate estersHemiacetalsHydrocarbon derivativesMethyl estersMonocyclic monoterpenoidsOrganic oxidesOxacyclic compoundsTyrosols and derivativesVinylogous esters1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlpha,beta-unsaturated carboxylic esterAromatic heteromonocyclic compoundAromatic monoterpenoidBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCatecholDicarboxylic acid or derivativesEnoate esterHemiacetalHydrocarbon derivativeMethyl esterMonocyclic benzene moietyMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolSecoiridoid-skeletonTyrosol derivativeVinylogous esterlogp2.16logs-3.95solubility4.20e-02 g/llogp1.88pka_strongest_acidic9.28pka_strongest_basic-4.2iupacmethyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylateaverage_mass378.3732mono_mass378.13146768smilesCOC(=O)C1=CO[C@@H](O)\C(=C/C)[C@@H]1CC(=O)OCCC1=CC=C(O)C(O)=C1formulaC19H22O8inchiInChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-/t13-,19+/m0/s1inchikeyBIWKXNFEOZXNLX-SQOYHTLWSA-Npolar_surface_area122.52refractivity95.8polarizability37.88rotatable_bond_count8acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::CMs14578Specdb::CMs41265Specdb::CMs165872Specdb::MsMs68760Specdb::MsMs68761Specdb::MsMs68762Specdb::MsMs126867Specdb::MsMs126868Specdb::MsMs126869Specdb::MsMs2753224Specdb::MsMs2753225Specdb::MsMs2753226Specdb::MsMs2952123Specdb::MsMs2952124Specdb::MsMs2952125HMDB29304OliveType 1specificOlea europaea41468.86422917.51.096199989mg/100 gOlive oilType 2