1.02010-04-08 22:11:24 UTC2019-11-26 03:10:35 UTCFDB014675Oryzanol AFrom rice bran oil (Oryza sativa). Oryzanol A is found in cereals and cereal products, rice, and fats and oils.Cycloartenol ferulic acid esterOryzanol AC40H58O4602.8861602.4335103447,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate11042-64-1COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1OInChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+FODTZLFLDFKIQH-GHRIWEEISA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety.Cycloartanols and derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesCycloartanols and derivativesAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesCarbonyl compoundsCinnamic acid estersCoumaric acids and derivativesEnoate estersFatty acid estersHydrocarbon derivativesMethoxybenzenesMethoxyphenolsMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsSteroid estersStyrenesTriterpenoids1-hydroxy-2-unsubstituted benzenoid9b,19-cyclo-lanostane-skeletonAlkyl aryl etherAlpha,beta-unsaturated carboxylic esterAnisoleAromatic homopolycyclic compoundBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCinnamic acid or derivativesCoumaric acid or derivativesCycloartane-skeletonCycloartanol-skeletonEnoate esterEtherFatty acid esterFatty acylHydrocarbon derivativeHydroxycinnamic acid or derivativesMethoxybenzeneMethoxyphenolMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolPhenol etherPhenoxy compoundSteroid esterStyreneTriterpenoidlogp8.54logs-7.65solubility1.36e-05 g/lmelting_pointMp 148-150°logp10.12pka_strongest_acidic9.87pka_strongest_basic-4.9iupac7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateaverage_mass602.8861mono_mass602.433510344smilesCOC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1OformulaC40H58O4inchiInChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+inchikeyFODTZLFLDFKIQH-GHRIWEEISA-Npolar_surface_area55.76refractivity180.04polarizability73.97rotatable_bond_count9acceptor_count3donor_count1physiological_charge0formal_charge0Specdb::CMs16452Specdb::CMs44629Specdb::CMs474607Specdb::CMs792195Specdb::MsMs74583Specdb::MsMs74584Specdb::MsMs74585Specdb::MsMs134007Specdb::MsMs134008Specdb::MsMs134009Specdb::MsMs2473256Specdb::MsMs2473257Specdb::MsMs2473258Specdb::MsMs2489109Specdb::MsMs2489110Specdb::MsMs2489111HMDB35891#<Reference:0x00005556761c1cc8>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericFats and oilsUnknowngenericRiceType 1specificOryza sativa4530