Eutypine
PubChem CID: 129326
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Eutypine, 121007-17-8, 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde, 4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde, CHEMBL501128, DTXSID60153107, C08448, AC1L2VEO, SCHEMBL272100, Benzaldehyde, 4-hydroxy-3-(3-methyl-3-buten-1-ynyl)-, DTXCID8075598, 4-hydroxy-3-(3-methyl-3-butene-1-ynyl) benzaldehyde, 4-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde, 4-hydroxy-3-(3-methyl-3-butene-1-ynyl) benzyl aldehyde |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | SFCYVTIQMNZUCZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde |
| Heavy Atom Count | 14.0 |
| Compound Name | Eutypine |
| Description | Eutypine is a member of the class of compounds known as hydroxybenzaldehydes. Hydroxybenzaldehydes are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Eutypine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eutypine can be found in common grape, which makes eutypine a potential biomarker for the consumption of this food product. |
| Exact Mass | 186.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.068 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.21 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3 |
| Smiles | CC(=C)C#CC1=C(C=CC(=C1)C=O)O |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H10O2 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all