1.02010-04-08 22:14:02 UTC2019-11-26 03:16:55 UTCFDB018940Methyl dihydrophaseateIsolated from French beans. Methyl dihydrophaseate is found in pulses.Methyl dihydrophaseateC16H24O5296.3588296.162373878methyl (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoatemethyl (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoateCOC(=O)\C=C(/C)\C=C\C1(O)C2(C)COC1(C)CC(O)C2InChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+QNMHUZMKLBWTQM-LCAICKDSSA-N belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety.Abscisic acids and derivativesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic heteropolycyclic compoundsCarbonyl compoundsCyclic alcohols and derivativesDialkyl ethersEnoate estersFatty acid estersHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsOxepanesSecondary alcoholsTertiary alcoholsTetrahydrofuransAbscisic acidAlcoholAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCyclic alcoholDialkyl etherEnoate esterEtherFatty acid esterFatty acylHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxepaneSecondary alcoholTertiary alcoholTetrahydrofuranlogp0.85logs-2.63solubility6.89e-01 g/llogp0.88pka_strongest_acidic12.89pka_strongest_basic-2.7iupacmethyl (2E,4E)-5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoateaverage_mass296.3588mono_mass296.162373878smilesCOC(=O)\C=C(/C)\C=C\C1(O)C2(C)COC1(C)CC(O)C2formulaC16H24O5inchiInChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+inchikeyQNMHUZMKLBWTQM-LCAICKDSSA-Npolar_surface_area75.99refractivity79.77polarizability32.07rotatable_bond_count4acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs20512Specdb::CMs46383Specdb::CMs166184Specdb::MsMs100014Specdb::MsMs100015Specdb::MsMs100016Specdb::MsMs165246Specdb::MsMs165247Specdb::MsMs165248Specdb::MsMs2388167Specdb::MsMs2388168Specdb::MsMs2388169Specdb::MsMs2574127Specdb::MsMs2574128Specdb::MsMs2574129HMDB39376#<Reference:0x0000555675c37320>PulsesUnknowngeneric