7,8-Dimethoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL564438 | |
| PubChem: | 45273559 | |
| IUPAC: | 7,8-dimethoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione | |
| Standard InChI: | InChI=1S/C20H14O5/c1-23-15-10-14-16-13(19(21)25-20(14)22)9-8-12(17(16)18(15)24-2)11-6-4-3-5-7-11/h3-10H,1-2H3 | |
| Standard InChI Key: | VYVPBGHHIYVSRP-UHFFFAOYSA-N | |
| SMILES: | COc1cc2C(=O)OC(=O)c3c2c(c1OC)c(cc3)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 334.08 | |
| Topological polar surface area: | 61.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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