Cyclopentaneacetic acid, 3-oxo-2-pentyl-
PubChem CID: 107126
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| Compound Synonyms | Dihydrojasmonic acid, 3572-64-3, 3-Oxo-2-pentylcyclopentaneacetic acid, 2-(3-oxo-2-pentylcyclopentyl)acetic acid, (+/-)-Dihydrojasmonic Acid, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, 2-Amyl-3-oxocyclopentaneacetic Acid, EINECS 222-687-8, DTXSID30883989, 2-Amyl-3-(carboxymethyl)cyclopentanone, (+/-)-9,10-Dihydrojasmonic Acid, (3-oxo-2-pentylcyclopentyl)acetic acid, MFCD18781916, SpecPlus_000429, Spectrum2_001650, Spectrum3_001615, Spectrum4_001665, Spectrum5_000569, BSPBio_003249, KBioGR_002189, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, (1R,2R)- (9CI), DivK1c_006525, SCHEMBL216000, SPECTRUM1504104, SPBio_001779, CHEMBL3039153, KBio1_001469, KBio3_002469, CHEBI:177664, DTXCID301023464, CCG-38766, MFCD08276352, 2-pentyl-3-oxo-cyclopentylacetic acid, AKOS037645758, 3-oxo-2-pentyl-cyclopentaneacetic acid, SDCCGMLS-0066883.P001, 3-(Carboxymethyl)-2-pentylcyclopentanone, NCGC00095830-01, NCGC00095830-02, AS-63120, DA-52548, HY-131116, CS-0128623, D3225, NS00047633, 2-(3-oxo-2-(pentanyl)cyclopentyl)acetic acid, SR-05000002455, 3-Oxo-2-pentyl-(1R-trans)-Cyclopentaneacetic acid, SR-05000002455-1, 222-687-8 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Description | Isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is found in many foods, some of which are pulses, broad bean, cereals and cereal products, and rye. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-oxo-2-pentylcyclopentyl)acetic acid |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C12H20O3 |
| Inchi Key | PQEYTAGBXNEUQL-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | (-)-9,10-dihydrojasmonic acid, (-)-dihydrojasmonic acid, [(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid, 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid, 3-oxo-2-Pentyl-(1R-trans)-cyclopentaneacetic acid, 9,10-Dihydrojasmonic acid, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, (1R-trans)-, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, (1R,2R)- (9CI), Dihydrojasmonic acid, Dihydrojasmonate, (-)-9,10-Dihydrojasmonic acid, (-)-Dihydrojasmonic acid, 2-[(1R,2R)-3-oxo-2-Pentylcyclopentyl]acetic acid, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, (1R,2R)- (9ci), [(1R,2R)-3-oxo-2-Pentylcyclopentyl]acetic acid, 2-(3-oxo-2-Pentylcyclopentyl)acetate |
| Compound Name | Cyclopentaneacetic acid, 3-oxo-2-pentyl- |
| Kingdom | Organic compounds |
| Exact Mass | 212.141 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 212.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 212.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15) |
| Smiles | CCCCCC1C(CCC1=O)CC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Jasmonic acids |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all