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 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of Prunus cerasus (cherry) seeds. Gibberellin A95 is found in fruits, sour cherry, and peach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | fooddb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C19H22O5 |
| Inchi Key | UXLXLQYIDWLPKX-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA95, Gibberellin A95 |
| 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 |
| Compound Name | Gibberellin A95 |
| 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 | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 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