2-Hydroxycampholonic acid
PubChem CID: 85643153
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| Compound Synonyms | 2-Hydroxycampholonic acid, CHEBI:230849, 2-(3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | OBFKTGKIOIHLFK-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | 2-Hydroxycampholonic acid |
| Description | 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. |
| Exact Mass | 200.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 200.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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) |
| Smiles | CC1(C(CC(=O)C1(C)O)CC(=O)O)C |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O4 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all