(Z)-5'-Hydroxyjasmone 5'-O-Beta-D-Glucopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3356415 | |
| PubChem: | 11359817 | |
| IUPAC: | 3-methyl-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopent-2-en-1-one | |
| Standard InChI: | InChI=1S/C17H26O7/c1-10-6-7-12(19)11(10)5-3-2-4-8-23-17-16(22)15(21)14(20)13(9-18)24-17/h2-3,13-18,20-22H,4-9H2,1H3/b3-2-/t13-,14-,15+,16-,17-/m1/s1 | |
| Standard InChI Key: | GQQXMGOLSQFKPZ-ODWDTFMPSA-N | |
| SMILES: | OC[C@H]1O[C@@H](OCC/C=CCC2=C(C)CCC2=O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 342.17 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.706 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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