5-Acetonyl-7-Hydroxy-2-Methylchromone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL457049 | |
| PubChem: | 5319500 | |
| IUPAC: | 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3 | |
| Standard InChI Key: | YMCXDPKFRCHLPK-UHFFFAOYSA-N | |
| SMILES: | CC(=O)Cc1cc(O)cc2c1c(=O)cc(o2)C | |
Molecular propeties
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| AlogP: | 1.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 232.07 | |
| Topological polar surface area: | 63.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.231 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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