(2E,4E)-5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid
PubChem CID: 5363746
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| Compound Synonyms | 6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv., 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1.alpha.,5.alpha.,8S*(Z,E)]]-, (2E,4E)-5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid, (2E,4E)-5-(8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid # |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | IZGYIFFQBZWOLJ-UMCKCUICSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | (2E,4E)-5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid |
| Description | Phaseic acid, also known as phaseate, belongs to abscisic acids and derivatives class of compounds. Those are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. Phaseic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Phaseic acid can be found in a number of food items such as boysenberry, prunus (cherry, plum), european plum, and wild rice, which makes phaseic acid a potential biomarker for the consumption of these food products. Phaseic acid is a terpenoid catabolite of abscisic acid. Like abscisic acid, it is a plant hormone associated with photosynthesis arrest and abscission . |
| Exact Mass | 280.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 280.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+ |
| Smiles | C/C(=C\C(=O)O)/C=C/C1(C2(CC(=O)CC1(OC2)C)C)O |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C15H20O5 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all