Trans-4-O-Beta-D-Glucopyranosylferulic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3403684 | |
| PubChem: | 13916049 | |
| IUPAC: | (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1 | |
| Standard InChI Key: | IEMIRSXOYFWPFD-BJGSYIFTSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -1.03 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 356.11 | |
| Topological polar surface area: | 146 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.438 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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