1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:17 UTC FDB011689 Dihydrojasmonic acid 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. (-)-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 C12H20O3 212.2854 212.141244506 2-(3-oxo-2-pentylcyclopentyl)acetic acid (3-oxo-2-pentylcyclopentyl)acetic acid 98674-52-3 CCCCCC1C(CC(O)=O)CCC1=O 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) PQEYTAGBXNEUQL-UHFFFAOYSA-N belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Jasmonic acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic homomonocyclic compounds Carboxylic acids Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Hydrocarbon derivative Jasmonic acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.67 ALOGPS logs -2.62 ALOGPS solubility 5.14e-01 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_acidic 4.77 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-(3-oxo-2-pentylcyclopentyl)acetic acid ChemAxon average_mass 212.2854 ChemAxon mono_mass 212.141244506 ChemAxon smiles CCCCCC1C(CC(O)=O)CCC1=O ChemAxon formula C12H20O3 ChemAxon 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) ChemAxon inchikey PQEYTAGBXNEUQL-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 57.44 ChemAxon polarizability 24.08 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12025 Specdb::CMs 43377 Specdb::CMs 164713 Specdb::MsMs 68214 Specdb::MsMs 68215 Specdb::MsMs 68216 Specdb::MsMs 126198 Specdb::MsMs 126199 Specdb::MsMs 126200 Specdb::MsMs 439781 Specdb::MsMs 439782 Specdb::MsMs 449934 Specdb::MsMs 449935 Specdb::MsMs 449936 Specdb::MsMs 449937 Specdb::MsMs 2437747 Specdb::MsMs 2437748 Specdb::MsMs 2437749 Specdb::MsMs 2527938 Specdb::MsMs 2527939 Specdb::MsMs 2527940 HMDB33601 #<Reference:0x000055ce318c7b20> Breakfast cereal Type 2 specific Broad bean Type 1 specific Vicia faba 3906 Cereals and cereal products Unknown generic Pulses Unknown generic Rye Type 1 specific Secale cereale 4550