1.02010-04-08 22:04:32 UTC2019-11-26 02:54:39 UTCFDB000350p-HPEA-EAp-HPEA-EA is the major form of the ligstroside-aglycone. p-HPEA-EA is found in olive.Ligstroside-aglycone mono-aldehydep-HPEA-Elenolic acid mono-aldehydeC17H20O5304.3377304.131073752-(4-hydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate2-(4-hydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate501-94-0[H]\C(C)=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-VPOVFCBNUOUZGG-VVHNFQOZSA-N belongs to the class of organic compounds known as tyrosols and derivatives. Tyrosols and derivatives are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.Tyrosols and derivativesOrganic compoundsBenzenoidsPhenolsTyrosols and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlpha-hydrogen aldehydesBenzene and substituted derivativesCarboxylic acid estersEnalsFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxides1-hydroxy-2-unsubstituted benzenoidAldehydeAlpha,beta-unsaturated aldehydeAlpha-hydrogen aldehydeAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnalFatty acid esterFatty acylHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundTyrosol derivativelogp2.95logs-4.29solubility1.56e-02 g/llogp1.83pka_strongest_acidic9.5pka_strongest_basic-4.4iupac2-(4-hydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoateaverage_mass304.3377mono_mass304.13107375smiles[H]\C(C)=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1formulaC17H20O5inchiInChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-inchikeyVPOVFCBNUOUZGG-VVHNFQOZSA-Npolar_surface_area80.67refractivity83.27polarizability31.69rotatable_bond_count10acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::CMs12644Specdb::CMs41266Specdb::CMs136229Specdb::CMs143963Specdb::MsMs46422Specdb::MsMs46423Specdb::MsMs46424Specdb::MsMs160623Specdb::MsMs160624Specdb::MsMs160625Specdb::MsMs2261524Specdb::MsMs2261525Specdb::MsMs2261526Specdb::MsMs3077454Specdb::MsMs3077455Specdb::MsMs3077456OliveType 1specificOlea europaea41464.0808646.9098865171.527639985mg/100 gOlive oilType 2