3-O-Methylgigantol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL525620 | |
| PubChem: | 10108163 | |
| IUPAC: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol | |
| Standard InChI: | InChI=1S/C17H20O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h6-11,18H,4-5H2,1-3H3 | |
| Standard InChI Key: | KXKMCMZHJBJGCT-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2ccc(c(c2)OC)OC)cc(c1)O | |
Molecular propeties
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| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 288.14 | |
| Topological polar surface area: | 47.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.294 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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