13-Hydroxyabscisic acid
PubChem CID: 131751914
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| Compound Synonyms | 13-Hydroxyabscisic acid, CHEBI:143236, 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | AVFORCKFTWHFAR-UMCKCUICSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 13-Hydroxyabscisic acid, 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid |
| Heavy Atom Count | 20.0 |
| Compound Name | 13-Hydroxyabscisic acid |
| Description | Constituent of cowpea (Vigna unguiculata) fruits. 13-Hydroxyabscisic acid is found in pulses and cowpea. |
| Exact Mass | 280.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| 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-[1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+ |
| Smiles | CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)CO |
| Xlogp | 0.9 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C15H20O5 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all