Dodecyl Gallate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL16121 | |
| PubChem: | 14425 | |
| IUPAC: | dodecyl 3,4,5-trihydroxybenzoate | |
| Standard InChI: | InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 | |
| Standard InChI Key: | RPWFJAMTCNSJKK-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O | |
Molecular propeties
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| AlogP: | 4.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 1 | |
| Molecular Weight: | 338.21 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.632 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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