2,4,6-Trihydroxy-3-(3,3-Dimethylallyl)Acetophenone
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1241050 | |
| PubChem: | 11687311 | |
| IUPAC: | 1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone | |
| Standard InChI: | InChI=1S/C13H16O4/c1-7(2)4-5-9-10(15)6-11(16)12(8(3)14)13(9)17/h4,6,15-17H,5H2,1-3H3 | |
| Standard InChI Key: | VSODLHSFRVYYBZ-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc(c(c1O)C(=O)C)O)C | |
Molecular propeties
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| AlogP: | 2.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 236.1 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.308 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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