Gibberellin A88
PubChem CID: 11034886
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| Compound Synonyms | Gibberellin A88, GA88, DTXSID401111202, 146959-87-7, Gibb-4b-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1I+/-,2I(2),4aI+/-,10I(2))- |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | BSBICXIQCTXPMN-OOULSYMHSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA88, Gibberellin A88 |
| Heavy Atom Count | 24.0 |
| Compound Name | Gibberellin A88 |
| Description | Constituent of apple seeds (Malus domestica). Gibberellin A88 is found in apple and pomes. |
| Exact Mass | 330.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 738.0 |
| 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 | 7.0 |
| Iupac Name | (1S,5R,8S,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-2-ene-9-carboxylic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h4,10,12-14,20H,1,3,5-8H2,2H3,(H,21,22)/t10-,12+,13-,14-,17-,18+,19-/m1/s1 |
| Smiles | C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45C3=CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O |
| Xlogp | 0.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all