1.02010-04-08 22:04:38 UTC2020-02-24 19:10:09 UTCFDB000579OryzarolIsolated from rice straw(Oryza sativa). Oryzarol is found in cereals and cereal products and rice.Eugenol palmitateOryzarolC26H42O3402.6099402.313395212-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoate2-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoateCCCCCCCCCCCCCCCC(=O)OC1=CC=C(CC=C)C=C1OCInChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3QZCTXVLQHKKTGL-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.Phenol estersOrganic compoundsBenzenoidsPhenol estersAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMethoxybenzenesMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEtherFatty acid esterFatty acylHydrocarbon derivativeMethoxybenzeneMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol esterPhenol etherPhenoxy compoundlogp8.86logs-7.63solubility9.44e-06 g/lmelting_pointMp 39-40°logp9pka_strongest_basic-4.9iupac2-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoateaverage_mass402.6099mono_mass402.31339521smilesCCCCCCCCCCCCCCCC(=O)OC1=CC=C(CC=C)C=C1OCformulaC26H42O3inchiInChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3inchikeyQZCTXVLQHKKTGL-UHFFFAOYSA-Npolar_surface_area35.53refractivity122.38polarizability51.61rotatable_bond_count19acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs11526Specdb::CMs153273Specdb::MsMs99417Specdb::MsMs99418Specdb::MsMs99419Specdb::MsMs164556Specdb::MsMs164557Specdb::MsMs164558Specdb::MsMs2379171Specdb::MsMs2379172Specdb::MsMs2379173Specdb::MsMs2556669Specdb::MsMs2556670Specdb::MsMs2556671HMDB29458#<Reference:0x0000555676086228>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericRiceType 1specificOryza sativa4530