Gigantol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL219553 | |
| PubChem: | 10221179 | |
| IUPAC: | 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3 | |
| Standard InChI Key: | BMSPEISBKGSBTR-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2ccc(c(c2)OC)O)cc(c1)O | |
Molecular propeties
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| AlogP: | 2.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 274.12 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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