Phloroisobutyrophenone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL20038 | |
| PubChem: | 5326317 | |
| IUPAC: | 2-methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one | |
| Standard InChI: | InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3 | |
| Standard InChI Key: | BNEBXEZRBLYBCZ-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c(c(c1)O)C(=O)C(C)C | |
Molecular propeties
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| AlogP: | 1.64 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.07 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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