(2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-Dihydroxyphenyl)Ethenyl]-2-Hydroxyphenoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL109802 | |
| PubChem: | 11968990 | |
| IUPAC: | (2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 | |
| Standard InChI Key: | UMGCIIXWEFTPOC-CUYWLFDKSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2cc(ccc2O)/C=C/c2cc(O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | 0.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 406.13 | |
| Topological polar surface area: | 160 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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