5,12-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
PubChem CID: 14833707
Connections displayed (default: 10).
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| Topological Polar Surface Area | 152.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | YPZCOEDTKIYBEB-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | GA28, gibberellin 28, Gibberellin A28 |
| Heavy Atom Count | 28.0 |
| Compound Name | 5,12-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| Description | Gibberellin a28 is a member of the class of compounds known as c20-gibberellin 20-carboxylic acids. C20-gibberellin 20-carboxylic acids are c20-gibberellins with a carboxyl group at the 20-position. Gibberellin a28 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a28 can be found in japanese pumpkin, scarlet bean, and winter squash, which makes gibberellin a28 a potential biomarker for the consumption of these food products. |
| Exact Mass | 394.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.163 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 806.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 394.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27) |
| Smiles | CC1(C(CCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)O)C(=O)O |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H26O8 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Maxima (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all