1.0 2010-04-08 22:12:33 UTC 2018-05-29 01:27:34 UTC FDB016639 1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid Constituent of Artemisia vulgaris (mugwort) C15H20O3 248.3175 248.141244506 2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)prop-2-enoic acid 2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid 135594-81-9 CC12CCC(CC1C(=C)C=CC2O)C(=C)C(O)=O InChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18) GQPOONXHFROSAO-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 2.44 ALOGPS logs -2.72 ALOGPS solubility 4.76e-01 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_acidic 4.83 ChemAxon pka_strongest_basic -1 ChemAxon iupac 2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)prop-2-enoic acid ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC12CCC(CC1C(=C)C=CC2O)C(=C)C(O)=O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18) ChemAxon inchikey GQPOONXHFROSAO-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 70.58 ChemAxon polarizability 27.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12464 Specdb::MsMs 12465 Specdb::MsMs 12466 Specdb::MsMs 19136 Specdb::MsMs 19137 Specdb::MsMs 19138 Specdb::MsMs 2357925 Specdb::MsMs 2357926 Specdb::MsMs 2357927 Specdb::MsMs 2604155 Specdb::MsMs 2604156 Specdb::MsMs 2604157 Specdb::CMs 20539 Specdb::CMs 45458 Specdb::CMs 174462 HMDB37557 #<Reference:0x000055ce307eb9c8>