Gibberellin A75
PubChem CID: 14583169
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| Compound Synonyms | Gibberellin A75, GA75 |
|---|---|
| Topological Polar Surface Area | 145.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of seeds of Helianthus annuus (sunflower). Gibberellin A75 is found in sunflower and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 795.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (1R,2R,5S,7S,8R,9S,10R,11S,12R,13S)-5,7,12,13-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | -1.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C19H24O8 |
| Inchi Key | VCYXZJKAYAIMDV-ITKNPAOSSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | GA75, Gibberellin A75, 15beta-Hydroxy-GA8, 15β-Hydroxy-GA8 |
| Compound Name | Gibberellin A75 |
| Kingdom | Organic compounds |
| Exact Mass | 380.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 380.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11+,12+,13-,16-,17-,18+,19+/m0/s1 |
| Smiles | C[C@]12[C@H]3[C@@H]([C@@]45C[C@@](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)(C(=C)[C@H]5O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | C19-gibberellin 6-carboxylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all