1.0 2010-04-08 22:06:53 UTC 2025-11-18 23:00:18 UTC FDB005877 Dihydroparthenolide Dihydroparthenolide is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dihydroparthenolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroparthenolide can be found in sweet bay, which makes dihydroparthenolide a potential biomarker for the consumption of this food product. Dihydroparthenolide C15H22O3 250.3334 250.15689457 (8E)-4,9,12-trimethyl-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-8-en-13-one (8E)-4,9,12-trimethyl-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-8-en-13-one CC1C2C\C(C)=C\CCCC3(C)OC3C2OC1=O InChI=1S/C15H22O3/c1-9-6-4-5-7-15(3)13(18-15)12-11(8-9)10(2)14(16)17-12/h6,10-13H,4-5,7-8H2,1-3H3/b9-6+ CIGIQOGMEIBBRJ-RMKNXTFCSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxirane Tetrahydrofuran logp 3.39 ALOGPS logs -3.04 ALOGPS solubility 2.27e-01 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (8E)-4,9,12-trimethyl-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-8-en-13-one ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC1C2C\C(C)=C\CCCC3(C)OC3C2OC1=O ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-9-6-4-5-7-15(3)13(18-15)12-11(8-9)10(2)14(16)17-12/h6,10-13H,4-5,7-8H2,1-3H3/b9-6+ ChemAxon inchikey CIGIQOGMEIBBRJ-RMKNXTFCSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 68.75 ChemAxon polarizability 27.79 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98700 Specdb::MsMs 98701 Specdb::MsMs 98702 Specdb::MsMs 163671 Specdb::MsMs 163672 Specdb::MsMs 163673 Specdb::MsMs 3602216 Specdb::MsMs 3602217 Specdb::MsMs 3602218 Specdb::MsMs 3602219 Specdb::MsMs 3602220 Specdb::MsMs 3602221 Sweet bay Type 1 specific Laurus nobilis 85223