5-O-Feruloylquinic Acid
Representations & DB's id
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| ChEBI: | CHEBI:86388 | |
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| ChEMBL: | CHEMBL3526659 | |
| PubChem: | 9799386 | |
| IUPAC: | (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid | |
| Standard InChI: | InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1 | |
| Standard InChI Key: | RAGZUCNPTLULOL-KJJWLSQTSA-N | |
| SMILES: | COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C[C@H]([C@H]2O)O)C(=O)O)ccc1O | |
Molecular propeties
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| AlogP: | -0.34 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 368.11 | |
| Topological polar surface area: | 154 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.412 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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