Gibberellin A105
PubChem CID: 131751129
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| Compound Synonyms | Gibberellin A105, CHEBI:175213, GA105, 13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxahexacyclo[9.3.2.15,8.01,10.02,7.02,8]heptadecane-9-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of apple seeds (Malus domestica). Gibberellin A105 is found in apple and pomes. |
| 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 | 13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxahexacyclo[9.3.2.15,8.01,10.02,7.02,8]heptadecane-9-carboxylic acid |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C19H22O5 |
| Inchi Key | LFUHRHARIGPIGN-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | GA105, 13-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxahexacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁷.0²,⁸]heptadecane-9-carboxylate |
| Compound Name | Gibberellin A105 |
| Kingdom | Organic compounds |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 330.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H22O5/c1-8-9-3-4-18-12(8)17(18,5-9)11(14(21)22)13-16(2)6-10(20)7-19(13,18)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22) |
| Smiles | CC12CC(CC3(C1C(C45C36C4C(=C)C(C5)CC6)C(=O)O)OC2=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | C19-gibberellin 6-carboxylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all