2beta-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid
PubChem CID: 12310177
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| Compound Synonyms | 2beta-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | NJEWNTGSXKRWKA-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | GA14, Gibberellin A14, Gibberellin A14 aldehyde |
| Heavy Atom Count | 25.0 |
| Compound Name | 2beta-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid |
| Description | Gibberellin a14 is a member of the class of compounds known as c20-gibberellin 6-carboxylic acids. C20-gibberellin 6-carboxylic acids are c20-gibberellins with a carboxyl group at the 6-position. Gibberellin a14 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a14 can be found in a number of food items such as komatsuna, sour cherry, hard wheat, and cumin, which makes gibberellin a14 a potential biomarker for the consumption of these food products. |
| Exact Mass | 348.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.194 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 671.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 348.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25) |
| Smiles | CC12CCC(C(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)(C)C(=O)O)O |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H28O5 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all