Gibbane-1,10-dicarboxylic acid, 3,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,3beta,4aalpha,4bbeta,9beta,10beta)-
PubChem CID: 14583171
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| Compound Synonyms | Gibberellin A76, 128712-78-7, 15b-Hydroxygibberellin A29, GA76, DTXSID601106883, Gibbane-1,10-dicarboxylic acid, 3,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,3beta,4aalpha,4bbeta,9beta,10beta)-, Gibbane-1,10-dicarboxylic acid, 3,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1I+/-,3I(2),4aI+/-,4bI(2),9I(2),10I(2))- |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of sunflower seeds Helianthus annuus. Gibberellin A76 is found in sunflower. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 763.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,2R,5S,7S,8R,9S,10R,11R,13R)-5,7,13-trihydroxy-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 | -0.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C19H24O7 |
| Inchi Key | MVTFVUOAPQNRRR-JDRGUZRQSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 15b-Hydroxygibberellin A29, GA76, Gibberellin A76 |
| Compound Name | Gibbane-1,10-dicarboxylic acid, 3,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,3beta,4aalpha,4bbeta,9beta,10beta)- |
| Kingdom | Organic compounds |
| Exact Mass | 364.152 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 364.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10-,11-,12-,13-,16-,17+,18-,19-/m1/s1 |
| Smiles | C[C@@]12C[C@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)[C@H]5O)O)C(=O)O)OC2=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