Coniferin
Representations & DB's id
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| ChEBI: | CHEBI:16220 | |
|---|---|---|
| ChEMBL: | CHEMBL459056 | |
| PubChem: | 5280372 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1 | |
| Standard InChI Key: | SFLMUHDGSQZDOW-FAOXUISGSA-N | |
| SMILES: | OC/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
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| AlogP: | -1.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 342.13 | |
| Topological polar surface area: | 129 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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