1.02010-04-08 22:11:57 UTC2019-11-26 03:11:56 UTCFDB015618CostunolideConstituent of costus root (Saussurea lappa). Costunolide is found in tarragon, sweet bay, and herbs and spices.CostunlideCostunolidCostunolideCostus lactoneC15H20O2232.3181232.1463298846,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one6,10-dimethyl-3-methylidene-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one553-21-9C\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-HRYLQFBHBWLLLL-GYIATTAWSA-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 compoundsEnoate estersGamma butyrolactonesGermacrane sesquiterpenoidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnoate esterGamma butyrolactoneGermacrane sesquiterpenoidGermacranolideHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSesquiterpenoidTetrahydrofuranlogp4.22logs-3.38solubility9.69e-02 g/lmelting_pointMp 106-107°logp3.82pka_strongest_basic-6.9iupac6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-oneaverage_mass232.3181mono_mass232.146329884smilesC\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1formulaC15H20O2inchiInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-inchikeyHRYLQFBHBWLLLL-GYIATTAWSA-Npolar_surface_area26.3refractivity69.95polarizability26.38rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs12861Specdb::CMs161075Specdb::MsMs45711Specdb::MsMs45712Specdb::MsMs45713Specdb::MsMs145203Specdb::MsMs145204Specdb::MsMs145205Specdb::MsMs3055607Specdb::MsMs3055608Specdb::MsMs3055609Specdb::MsMs3111716Specdb::MsMs3111717Specdb::MsMs3111718HMDB36688#<Reference:0x00005556742019b0>#<Reference:0x00005556742017d0>Herbs and SpicesUnknowngenericSweet bayType 1specificLaurus nobilis852231800.01800.01800.0mg/100 gTarragonType 1specificArtemisia dracunculus72341allergenic43A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.anti angiogenic115An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.anti mutagenic451antitumor672A substance that inhibits or prevents the proliferation of neoplasms.dermatitigenic875pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.schistosomicide1303trematodicide1375VEGF inhibitor1418A substance that diminishes the rate of a chemical reaction.