3-Methoxy-7-Methyljuglone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL449429 | |
| PubChem: | 5276616 | |
| IUPAC: | 8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione | |
| Standard InChI: | InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3 | |
| Standard InChI Key: | KDBWUCIHUALFON-UHFFFAOYSA-N | |
| SMILES: | COC1=CC(=O)c2c(C1=O)c(O)cc(c2)C | |
Molecular propeties
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| AlogP: | 1.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 218.06 | |
| Topological polar surface area: | 63.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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