7-Hydroxy-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-2-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL359043 | |
| PubChem: | 5351506 | |
| IUPAC: | 7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | |
| Standard InChI: | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 | |
| Standard InChI Key: | XHCADAYNFIFUHF-UHFFFAOYSA-N | |
| SMILES: | OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(C(C1O)O)O | |
Molecular propeties
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| AlogP: | -1.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 340.08 | |
| Topological polar surface area: | 146 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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