3,13-Dihydroxygibberellin A15
PubChem CID: 12989797
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| Compound Synonyms | 3,13-Dihydroxygibberellin A15, GA38, 36434-14-7, DTXSID901104424, Gibbane-1,10-dicarboxylic acid, 2,7-dihydroxy-4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, (1I+/-,2I(2),4aI+/-,4bI(2),10I(2))- |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Description | Isolated from immature seeds of Phaseolus vulgaris (French bean). Gibberellin A38 is found in many foods, some of which are sweet orange, mentha (mint), sago palm, and root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 0.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H26O6 |
| Inchi Key | GAQSCLQIDHHPEE-ARCJWRNYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 3,13-Dihydroxygibberellin A15, GA38, Gibberellin A38, 2beta-Hydroxy-GA44, 2β-Hydroxy-GA44, 3,13-Dihydroxy-GA15 |
| Compound Name | 3,13-Dihydroxygibberellin A15 |
| Kingdom | Organic compounds |
| Exact Mass | 362.173 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 362.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)6-3-11(19)18-5-4-12(21)17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13+,14+,17+,18+,19-,20-/m0/s1 |
| Smiles | C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)COC2=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | C19-gibberellin 6-carboxylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucurbita Maxima (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sechium Edule (Plant) Rel Props:Source_db:fooddb_chem_all