Batatasin Iii
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL450788 | |
| PubChem: | 10466989 | |
| IUPAC: | 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol | |
| Standard InChI: | InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3 | |
| Standard InChI Key: | VYQXIUVIYICVCM-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2cccc(c2)O)cc(c1)O | |
Molecular propeties
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| AlogP: | 2.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 244.11 | |
| 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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