1.0 2010-04-08 22:04:58 UTC 2025-11-18 22:31:24 UTC FDB001459 2-Hydroxycampholonic acid 2-hydroxycampholonic acid belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. 2-hydroxycampholonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 2-hydroxycampholonic acid can be found in common sage, which makes 2-hydroxycampholonic acid a potential biomarker for the consumption of this food product. C10H16O4 200.2316 200.104859 2-(3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid (3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid 141717-34-2 CC1(C)C(CC(O)=O)CC(=O)C1(C)O InChI=1S/C10H16O4/c1-9(2)6(5-8(12)13)4-7(11)10(9,3)14/h6,14H,4-5H2,1-3H3,(H,12,13) OBFKTGKIOIHLFK-UHFFFAOYSA-N belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Iridoids and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Acyloins Carboxylic acids Cyclic alcohols and derivatives Cyclic ketones Cyclopentanols Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Tertiary alcohols 11-noriridane monoterpenoid Acyloin Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 0.60 ALOGPS logs -0.99 ALOGPS solubility 2.06e+01 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_acidic 4.44 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid ChemAxon average_mass 200.2316 ChemAxon mono_mass 200.104859 ChemAxon smiles CC1(C)C(CC(O)=O)CC(=O)C1(C)O ChemAxon formula C10H16O4 ChemAxon inchi InChI=1S/C10H16O4/c1-9(2)6(5-8(12)13)4-7(11)10(9,3)14/h6,14H,4-5H2,1-3H3,(H,12,13) ChemAxon inchikey OBFKTGKIOIHLFK-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 49.54 ChemAxon polarizability 20.31 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88899 Specdb::MsMs 88900 Specdb::MsMs 88901 Specdb::MsMs 151716 Specdb::MsMs 151717 Specdb::MsMs 151718 Specdb::MsMs 3597445 Specdb::MsMs 3597446 Specdb::MsMs 3597447 Specdb::MsMs 3598280 Specdb::MsMs 3598281 Specdb::MsMs 3598282 Common sage Type 1 specific Salvia officinalis 38868