5-O-(E)-P-Coumaroylquinic Acid
Representations & DB's id
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| ChEBI: | CHEBI:15937 | |
|---|---|---|
| ChEMBL: | CHEMBL284243 | |
| PubChem: | 6441280 | |
| IUPAC: | (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid | |
| Standard InChI: | InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1 | |
| Standard InChI Key: | BMRSEYFENKXDIS-OTCYKTEZSA-N | |
| SMILES: | O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | -0.35 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 338.1 | |
| Topological polar surface area: | 145 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.375 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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