8-Ormyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
PubChem CID: 14160523
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| Compound Synonyms | Gibberellin A102, CHEBI:175857, 8-ormyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | ODFFXPNOCMSXHG-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Substituent Name | Gibberellane-6-carboxylic acid, Dicarboxylic acid or derivatives, Tertiary alcohol, Cyclic alcohol, Secondary alcohol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aldehyde, Alcohol, Aliphatic homopolycyclic compound |
| Synonyms | GA102, Gibberellin A102 |
| Heavy Atom Count | 27.0 |
| Compound Name | 8-Ormyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| Kingdom | Organic compounds |
| Description | Constituent of seeds of Helianthus annuus (sunflower). Gibberellin A102 is found in sunflower and fats and oils. |
| Exact Mass | 378.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.168 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 761.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 378.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-formyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C20H26O7/c1-10-14(22)20-8-19(10,27)7-4-11(20)18(9-21)6-3-5-17(2,16(25)26)13(18)12(20)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26) |
| Smiles | CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4O)O)C(=O)O)C=O)C(=O)O |
| Xlogp | -0.4 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Diterpenoids |
| Molecular Formula | C20H26O7 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all