5-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
PubChem CID: 12310176
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| Topological Polar Surface Area | 132.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Description | Gibberellin a13 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 a13 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a13 can be found in a number of food items such as japanese pumpkin, catjang pea, boysenberry, and carob, which makes gibberellin a13 a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 759.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 1.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H26O7 |
| Inchi Key | UYRCHWLYXIQJKK-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Fujic acid |
| Compound Name | 5-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 378.168 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 378.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27) |
| Smiles | CC1(C(CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | C20-gibberellin 20-carboxylic acids |
- 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 - 3. Outgoing r'ship
FOUND_INto/from Sechium Edule (Plant) Rel Props:Source_db:fooddb_chem_all