Dihydro-5,6-Dehydrokawain
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1946699 | |
| PubChem: | 160673 | |
| IUPAC: | 4-methoxy-6-(2-phenylethyl)pyran-2-one | |
| Standard InChI: | InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3 | |
| Standard InChI Key: | OVXOWIKMOIVICB-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2ccccc2)oc(=O)c1 | |
Molecular propeties
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| AlogP: | 2.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 230.09 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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