Gibbane-1,10-dicarboxylic acid, 4a,6,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,6alpha,10beta)-
PubChem CID: 156908043
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| Compound Synonyms | Gibberellin A77, 128230-24-0, GA77, DTXSID301109933, Gibbane-1,10-dicarboxylic acid, 4a,6,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,6alpha,10beta)-, Gibbane-1,10-dicarboxylic acid, 4a,6,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1I+/-,4aI+/-,4bI(2),6I+/-,10I(2))- |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Description | Constituent of Raphanus sativus (radish). Gibberellin A77 is found in many foods, some of which are lettuce, root vegetables, radish, and strawberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 731.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,2R,4S,5S,8S,9S,10R,11R)-4,5-dihydroxy-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 | 0.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C19H24O6 |
| Inchi Key | BQOOPWCLYXZXSL-OBDJNFEBSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA77, Gibberellin A77 |
| Substituent Name | 20-norgibberellane-6-carboxylic acid, Diterpene lactone, Caprolactone, Oxepane, Gamma butyrolactone, Tertiary alcohol, Oxolane, Cyclic alcohol, Secondary alcohol, Lactone, Carboxylic acid ester, 1,2-diol, 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 | Gibbane-1,10-dicarboxylic acid, 4a,6,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,6alpha,10beta)- |
| Kingdom | Organic compounds |
| Exact Mass | 348.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 348.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 |
| Smiles | C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3C[C@@H]([C@](C4)(C(=C)C5)O)O)C(=O)O)OC2=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all