2-Methoxy-9,10-Dihydrophenanthrene-4,5-Diol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL254186 | |
| PubChem: | 11506999 | |
| IUPAC: | 2-methoxy-9,10-dihydrophenanthrene-4,5-diol | |
| Standard InChI: | InChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3 | |
| Standard InChI Key: | KQMGXHNRKZYDEK-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)CCc1c2c(O)ccc1 | |
Molecular propeties
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| AlogP: | 2.87 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 242.09 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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