Izalpinin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL464966 | |
| PubChem: | 5318691 | |
| IUPAC: | 3,5-dihydroxy-7-methoxy-2-phenylchromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,17,19H,1H3 | |
| Standard InChI Key: | PVJNLMXWZXXHSZ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 284.07 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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