Methyl Syringate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1651039 | |
| PubChem: | 15956 | |
| IUPAC: | methyl 3,4,5-trimethoxybenzoate | |
| Standard InChI: | InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3 | |
| Standard InChI Key: | KACHFMOHOPLTNX-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 226.08 | |
| Topological polar surface area: | 54 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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