1.0 2010-04-08 22:11:30 UTC 2025-11-19 00:50:12 UTC FDB014849 Artemisia ketone Artemisia 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 ketone C10H16O 152.2334 152.120115134 3,3,6-trimethylhepta-1,5-dien-4-one 3,3,6-trimethylhepta-1,5-dien-4-one 546-49-6 CC(C)=CC(=O)C(C)(C)C=C InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3 OTYVBQZXUNBRTK-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'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 2.98 ALOGPS logs -2.72 ALOGPS solubility 2.87e-01 g/l ALOGPS logp 3.43 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3,3,6-trimethylhepta-1,5-dien-4-one ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC(C)=CC(=O)C(C)(C)C=C ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3 ChemAxon inchikey OTYVBQZXUNBRTK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 49.15 ChemAxon polarizability 18.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1804 Specdb::MsMs 69792 Specdb::MsMs 69793 Specdb::MsMs 69794 Specdb::MsMs 128139 Specdb::MsMs 128140 Specdb::MsMs 128141 Specdb::MsMs 3605758 Specdb::MsMs 3605759 Specdb::MsMs 3605760 Specdb::MsMs 3605761 Specdb::MsMs 3605762 Specdb::MsMs 3605763 Sunflower Type 1 specific Helianthus annuus 4232 Tarragon Type 1 specific Artemisia dracunculus 72341 27.5 27.5 27.5 mg/100 g berry green herb herbal honey mint