3,4,8-Trimethoxyphenanthrene-2,5-Diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1085553 | |
| PubChem: | 46871897 | |
| IUPAC: | 3,4,8-trimethoxyphenanthrene-2,5-diol | |
| Standard InChI: | InChI=1S/C17H16O5/c1-20-13-7-6-11(18)15-10(13)5-4-9-8-12(19)16(21-2)17(22-3)14(9)15/h4-8,18-19H,1-3H3 | |
| Standard InChI Key: | RWWKZMYUOWSSPW-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c(c1OC)c1c(O)ccc(c1cc2)OC | |
Molecular propeties
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| AlogP: | 3.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.1 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.176 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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