4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL463102 | |
| PubChem: | 566734 | |
| IUPAC: | 4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one | |
| Standard InChI: | InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,8,11H,5H2,1-3H3 | |
| Standard InChI Key: | RLDREDRZMOWDOA-UHFFFAOYSA-N | |
| SMILES: | O=C1C=C(C)C(C(C1)(C)C)O | |
Molecular propeties
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| AlogP: | 1.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 154.1 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.778 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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