Aspidinol D
Representations & DB's id
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| ChEBI: | CHEBI:70395 | |
|---|---|---|
| ChEMBL: | CHEMBL1641982 | |
| PubChem: | 50908690 | |
| IUPAC: | 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methylbutan-1-one | |
| Standard InChI: | InChI=1S/C13H18O4/c1-5-7(2)12(15)11-9(14)6-10(17-4)8(3)13(11)16/h6-7,14,16H,5H2,1-4H3 | |
| Standard InChI Key: | HDRPUFIQLCTRLW-UHFFFAOYSA-N | |
| SMILES: | CCC(C(=O)c1c(O)cc(c(c1O)C)OC)C | |
Molecular propeties
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| AlogP: | 2.64 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 238.12 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.462 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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