Moscatilin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL374047 | |
| PubChem: | 176096 | |
| IUPAC: | 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol | |
| Standard InChI: | InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3 | |
| Standard InChI Key: | YTRAYUIKLRABOQ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2cc(OC)c(c(c2)OC)O)ccc1O | |
Molecular propeties
| ||
| AlogP: | 2.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 304.13 | |
| Topological polar surface area: | 68.2 | |
| 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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