1.0 2010-04-08 22:12:33 UTC 2025-11-19 01:48:53 UTC FDB016640 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid Constituent of Artemisia vulgaris (mugwort) C15H18O3 246.3016 246.125594442 2-(4a,8-dimethyl-7-oxo-1,2,3,4,4a,7-hexahydronaphthalen-2-yl)prop-2-enoic acid 2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid 135594-80-8 CC1=C2CC(CCC2(C)C=CC1=O)C(=C)C(O)=O InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18) FPCQVGOUFYTXFX-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carboxylic acids Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.80 ALOGPS logs -3.24 ALOGPS solubility 1.43e-01 g/l ALOGPS logp 3 ChemAxon pka_strongest_acidic 4.72 ChemAxon pka_strongest_basic -5 ChemAxon iupac 2-(4a,8-dimethyl-7-oxo-1,2,3,4,4a,7-hexahydronaphthalen-2-yl)prop-2-enoic acid ChemAxon average_mass 246.3016 ChemAxon mono_mass 246.125594442 ChemAxon smiles CC1=C2CC(CCC2(C)C=CC1=O)C(=C)C(O)=O ChemAxon formula C15H18O3 ChemAxon inchi InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18) ChemAxon inchikey FPCQVGOUFYTXFX-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 70.69 ChemAxon polarizability 26.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11042 Specdb::CMs 45459 Specdb::CMs 160611 Specdb::MsMs 51345 Specdb::MsMs 51346 Specdb::MsMs 51347 Specdb::MsMs 119271 Specdb::MsMs 119272 Specdb::MsMs 119273 Specdb::MsMs 2450818 Specdb::MsMs 2450819 Specdb::MsMs 2450820 Specdb::MsMs 2488608 Specdb::MsMs 2488609 Specdb::MsMs 2488610 HMDB37558 #<Reference:0x000055ce317c9ef8>