Xiphidone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL558914 | |
| PubChem: | 45273567 | |
| IUPAC: | 6-Hydroxy-2,5-dimethoxy-7-phenyl-1H-phenalen-1-one | |
| Standard InChI: | InChI=1S/C21H16O4/c1-24-16-10-13-11-17(25-2)21(23)19-14(12-6-4-3-5-7-12)8-9-15(18(13)19)20(16)22/h3-11,23H,1-2H3 | |
| Standard InChI Key: | BVIDEWFIIVXACV-UHFFFAOYSA-N | |
| SMILES: | COC1=Cc2cc(OC)c(c3c2c(C1=O)ccc3c1ccccc1)O | |
Molecular propeties
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| AlogP: | 4.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 332.1 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.095 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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