Gibberellin A95
PubChem CID: 312804
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| Compound Synonyms | Gibberellin A95, 78259-50-4, NSC224287, 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid, 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid, 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.1^(5,8).0^(1,10).0^(2,8))heptadec-13-ene-9-carboxylic acid, 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadec-13-ene-9-carboxylic acid, DTXSID90310286, CHEBI:175223, NSC-224287 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | UXLXLQYIDWLPKX-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Substituent Name | 20-norgibberellane-6-carboxylic acid, Diterpene lactone, Gamma butyrolactone, Tertiary alcohol, Oxolane, Cyclic alcohol, Lactone, Carboxylic acid ester, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic heteropolycyclic compound |
| Synonyms | GA95, Gibberellin A95 |
| Heavy Atom Count | 24.0 |
| Compound Name | Gibberellin A95 |
| Kingdom | Organic compounds |
| Description | Constituent of Prunus cerasus (cherry) seeds. Gibberellin A95 is found in fruits, sour cherry, and peach. |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,6,11-13,23H,1,4-5,7-9H2,2H3,(H,20,21) |
| Smiles | CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O |
| Xlogp | 1.4 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Diterpenoids |
| Molecular Formula | C19H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all