((1R,2R,3R)-2,3-Dihydroxycyclopentyl) 3-(3,4-Dihydroxyphenyl)Acrylate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL511537 | |
| PubChem: | 9903816 | |
| IUPAC: | [(1R,2R,3R)-2,3-dihydroxycyclopentyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C14H16O6/c15-9-3-1-8(7-11(9)17)2-6-13(18)20-12-5-4-10(16)14(12)19/h1-3,6-7,10,12,14-17,19H,4-5H2/b6-2+/t10-,12-,14-/m1/s1 | |
| Standard InChI Key: | RXKJUJBLHWQKCA-ZIEFYORRSA-N | |
| SMILES: | O=C(O[C@@H]1CC[C@H]([C@H]1O)O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
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| 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. |
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