2-Methoxyjuglone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL480099 | |
| PubChem: | 10104346 | |
| IUPAC: | 5-hydroxy-2-methoxynaphthalene-1,4-dione | |
| Standard InChI: | InChI=1S/C11H8O4/c1-15-9-5-8(13)10-6(11(9)14)3-2-4-7(10)12/h2-5,12H,1H3 | |
| Standard InChI Key: | GATGZQSBJAZYRT-UHFFFAOYSA-N | |
| SMILES: | COC1=CC(=O)c2c(C1=O)cccc2O | |
Molecular propeties
| ||
| AlogP: | 1.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 204.04 | |
| Topological polar surface area: | 63.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.091 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|