Denbinobin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL400925 | |
| PubChem: | 10423984 | |
| IUPAC: | 5-hydroxy-3,7-dimethoxyphenanthrene-1,4-dione | |
| Standard InChI: | InChI=1S/C16H12O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h3-7,18H,1-2H3 | |
| Standard InChI Key: | KYOONHCJRPIMJE-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)ccc1c2C(=O)C(=CC1=O)OC | |
Molecular propeties
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| AlogP: | 2.46 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 284.07 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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