1.0 2010-04-08 22:11:57 UTC 2019-11-26 03:11:56 UTC FDB015618 Costunolide Constituent of costus root (Saussurea lappa). Costunolide is found in tarragon, sweet bay, and herbs and spices. Costunlide Costunolid Costunolide Costus lactone C15H20O2 232.3181 232.146329884 6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one 6,10-dimethyl-3-methylidene-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one 553-21-9 C\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1 InChI=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 derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 4.22 ALOGPS logs -3.38 ALOGPS solubility 9.69e-02 g/l ALOGPS melting_point Mp 106-107° logp 3.82 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one ChemAxon average_mass 232.3181 ChemAxon mono_mass 232.146329884 ChemAxon smiles C\C1=C\CC\C(C)=C/C2OC(=O)C(=C)C2CC1 ChemAxon formula C15H20O2 ChemAxon inchi InChI=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- ChemAxon inchikey HRYLQFBHBWLLLL-GYIATTAWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 69.95 ChemAxon polarizability 26.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12861 Specdb::CMs 161075 Specdb::MsMs 45711 Specdb::MsMs 45712 Specdb::MsMs 45713 Specdb::MsMs 145203 Specdb::MsMs 145204 Specdb::MsMs 145205 Specdb::MsMs 3055607 Specdb::MsMs 3055608 Specdb::MsMs 3055609 Specdb::MsMs 3111716 Specdb::MsMs 3111717 Specdb::MsMs 3111718 HMDB36688 #<Reference:0x00005612728135a0> #<Reference:0x0000561272813398> Herbs and Spices Unknown generic Sweet bay Type 1 specific Laurus nobilis 85223 1800.0 1800.0 1800.0 mg/100 g Tarragon Type 1 specific Artemisia dracunculus 72341 allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. anti angiogenic 115 An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. anti mutagenic 451 antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. dermatitigenic 875 pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. schistosomicide 1303 trematodicide 1375 VEGF inhibitor 1418 A substance that diminishes the rate of a chemical reaction.