Vanilloloside
Representations & DB's id
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| ChEBI: | CHEBI:68967 | |
|---|---|---|
| ChEMBL: | CHEMBL468568 | |
| PubChem: | 44577222 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1 | |
| Standard InChI Key: | SIMPNXWTAVEOTO-RKQHYHRCSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2ccc(cc2OC)CO)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -1.63 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 316.12 | |
| Topological polar surface area: | 129 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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