6-Acetyl-5-Hydroxy-2-Methoxy-7-Methyl-[1,4]Naphthoquinone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL322776 | |
| PubChem: | 158739 | |
| IUPAC: | 6-acetyl-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione | |
| Standard InChI: | InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3 | |
| Standard InChI Key: | SSHJHOVVYKCJJI-UHFFFAOYSA-N | |
| SMILES: | COC1=CC(=O)c2c(C1=O)cc(c(c2O)C(=O)C)C | |
Molecular propeties
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| AlogP: | 1.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 260.07 | |
| Topological polar surface area: | 80.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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