(+)-(6S)-Parasorbic Acid
Representations & DB's id
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| ChEBI: | CHEBI:7926 | |
|---|---|---|
| ChEMBL: | CHEMBL2252704 | |
| PubChem: | 441575 | |
| IUPAC: | (2S)-2-methyl-2,3-dihydropyran-6-one | |
| Standard InChI: | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1 | |
| Standard InChI Key: | DYNKRGCMLGUEMN-YFKPBYRVSA-N | |
| SMILES: | C[C@H]1CC=CC(=O)O1 | |
Molecular propeties
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| AlogP: | 0.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 112.05 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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