1.02010-04-08 22:12:00 UTC2019-11-26 03:12:05 UTCFDB015713LaurenobiolideConstituent of Laurus nobilis (bay laurel). Laurenobiolide is found in sweet bay and herbs and spices.IsotulipinolideLaurenobiolideC17H22O4290.3542290.1518091926,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate35001-25-3CC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7-ORJVLIMAQARNOU-ACBQZUGDSA-N belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.Germacranolides and derivativesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactonesAliphatic heteropolycyclic compoundsCarbonyl compoundsDicarboxylic acids and derivativesEnoate estersGamma butyrolactonesGermacrane sesquiterpenoidsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesEnoate esterGamma butyrolactoneGermacrane sesquiterpenoidGermacranolideHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSesquiterpenoidTetrahydrofuranlogp3.31logs-3.54solubility8.33e-02 g/lmelting_pointMp 101-103°logp2.91pka_strongest_acidic6.21pka_strongest_basic-6.6iupac6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetateaverage_mass290.3542mono_mass290.151809192smilesCC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12formulaC17H22O4inchiInChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7-inchikeyORJVLIMAQARNOU-ACBQZUGDSA-Npolar_surface_area52.6refractivity80.67polarizability30.89rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs10082Specdb::CMs152332Specdb::MsMs57243Specdb::MsMs57244Specdb::MsMs57245Specdb::MsMs112863Specdb::MsMs112864Specdb::MsMs112865Specdb::MsMs2300412Specdb::MsMs2300413Specdb::MsMs2300414Specdb::MsMs2639008Specdb::MsMs2639009Specdb::MsMs2639010HMDB367716390#<Reference:0x00005556761cfaf8>Herbs and SpicesUnknowngenericSweet bayType 1specificLaurus nobilis85223allergenic43A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.