(2S,5R)-2,5-Dihydroxycyclopentyl) 3-(3,4-Dihydroxyphenyl)Acrylate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL464608 | |
| PubChem: | 9903815 | |
| IUPAC: | [(2S,5R)-2,5-dihydroxycyclopentyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C14H16O6/c15-9-3-1-8(7-12(9)18)2-6-13(19)20-14-10(16)4-5-11(14)17/h1-3,6-7,10-11,14-18H,4-5H2/b6-2+/t10-,11+,14? | |
| Standard InChI Key: | XYGMVEGBGQSULF-RQEVDEIRSA-N | |
| SMILES: | O=C(OC1[C@H](O)CC[C@@H]1O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 0.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 280.09 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.357 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|