1.02010-04-08 22:11:30 UTC2019-11-26 03:10:50 UTCFDB014849Artemisia ketoneArtemisia ketone is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Artemisia ketone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Artemisia ketone is a berry, green, and herbal tasting compound found in sunflower and tarragon, which makes artemisia ketone a potential biomarker for the consumption of these food products. Artemisia ketoneC10H16O152.2334152.1201151343,3,6-trimethylhepta-1,5-dien-4-one3,3,6-trimethylhepta-1,5-dien-4-one546-49-6CC(C)=CC(=O)C(C)(C)C=CInChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3OTYVBQZXUNBRTK-UHFFFAOYSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'.EnonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAcryloyl compoundsHydrocarbon derivativesKetonesOrganic oxidesAcryloyl-groupAliphatic acyclic compoundEnoneHydrocarbon derivativeKetoneOrganic oxidelogp2.98logs-2.72solubility2.87e-01 g/llogp3.43pka_strongest_basic-4.6iupac3,3,6-trimethylhepta-1,5-dien-4-oneaverage_mass152.2334mono_mass152.120115134smilesCC(C)=CC(=O)C(C)(C)C=CformulaC10H16OinchiInChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3inchikeyOTYVBQZXUNBRTK-UHFFFAOYSA-Npolar_surface_area17.07refractivity49.15polarizability18.17rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1804Specdb::MsMs69792Specdb::MsMs69793Specdb::MsMs69794Specdb::MsMs128139Specdb::MsMs128140Specdb::MsMs128141Specdb::MsMs3605758Specdb::MsMs3605759Specdb::MsMs3605760Specdb::MsMs3605761Specdb::MsMs3605762Specdb::MsMs3605763SunflowerType 1specificHelianthus annuus4232TarragonType 1specificArtemisia dracunculus7234127.527.527.5mg/100 gberrygreenherbherbalhoneymint