Gibberellin A64
PubChem CID: 156908040
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gibberellin A64, GA64 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MJFVMFNFTCKAEV-UJDYUOFOSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA64, Gibberellin A64, Methyl 3-oxo1,2-benzisothiazole-2(3H)-acetate 1,1-dioxide |
| Heavy Atom Count | 25.0 |
| Compound Name | Gibberellin A64 |
| Description | Isolated from seeds of Helianthus annuus (sunflower). Gibberellin A64 is found in sunflower and fats and oils. |
| Exact Mass | 346.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 700.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 346.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,2S,5R,7R,8R,9S,10S,11R)-7-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H26O5/c1-10-11-4-5-12-19-7-3-6-18(2,17(24)25-9-19)14(19)13(16(22)23)20(12,8-11)15(10)21/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13-,14-,15-,18-,19-,20-/m1/s1 |
| Smiles | C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)[C@H]5O)C(=O)O)COC2=O |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H26O5 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all