Isofraxidin
Representations & DB's id
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| ChEBI: | CHEBI:81121 | |
|---|---|---|
| ChEMBL: | CHEMBL451518 | |
| PubChem: | 5318565 | |
| IUPAC: | 7-hydroxy-6,8-dimethoxychromen-2-one | |
| Standard InChI: | InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3 | |
| Standard InChI Key: | HOEVRHHMDJKUMZ-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)c(OC)cc2c1oc(=O)cc2 | |
Molecular propeties
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| AlogP: | 1.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 222.05 | |
| Topological polar surface area: | 65 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.182 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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