Jensenone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL427087 | |
| PubChem: | 11594161 | |
| IUPAC: | 2,4,6-trihydroxy-5-(3-methylbutanoyl)benzene-1,3-dicarbaldehyde | |
| Standard InChI: | InChI=1S/C13H14O6/c1-6(2)3-9(16)10-12(18)7(4-14)11(17)8(5-15)13(10)19/h4-6,17-19H,3H2,1-2H3 | |
| Standard InChI Key: | LGXKQDDWMRYQJK-UHFFFAOYSA-N | |
| SMILES: | O=Cc1c(O)c(C(=O)CC(C)C)c(c(c1O)C=O)O | |
Molecular propeties
| ||
| AlogP: | 1.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 266.08 | |
| Topological polar surface area: | 112 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.308 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|