Gibberellin A100
PubChem CID: 14160543
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| Compound Synonyms | Gibberellin A100, CHEBI:175680, 12,14-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of sunflower (Helianthus annuus) seeds. Gibberellin A100 is found in sunflower and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 717.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,14-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H28O6 |
| Inchi Key | GWJAUARFGPKLMT-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | GA100, Gibberellin A100 |
| Substituent Name | Gibberellane-6-carboxylic acid, Dicarboxylic acid or derivatives, Tertiary alcohol, Cyclic alcohol, Secondary alcohol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic homopolycyclic compound |
| Compound Name | Gibberellin A100 |
| Kingdom | Organic compounds |
| Exact Mass | 364.189 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 364.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H28O6/c1-10-14(21)20-9-19(10,26)8-5-11(20)17(2)6-4-7-18(3,16(24)25)13(17)12(20)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25) |
| Smiles | CC12CCCC(C1C(C34C2CCC(C3)(C(=C)C4O)O)C(=O)O)(C)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all