Prenyl Caffeate
Representations & DB's id
| ||
| ChEBI: | CHEBI:8393 | |
|---|---|---|
| ChEMBL: | CHEMBL471184 | |
| PubChem: | 5281790 | |
| IUPAC: | 3-methylbut-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ | |
| Standard InChI Key: | TTYOHMFLCXENHR-GQCTYLIASA-N | |
| SMILES: | O=C(/C=C/c1ccc(c(c1)O)O)OCC=C(C)C | |
Molecular propeties
| ||
| AlogP: | 2.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 248.1 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |