9-Methoxy-6-Phenyl-[1,3]Dioxolo[4,5-G]Chromen-8-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL186478 | |
| PubChem: | 189609 | |
| IUPAC: | 9-methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one | |
| Standard InChI: | InChI=1S/C17H12O5/c1-19-17-15-11(18)7-12(10-5-3-2-4-6-10)22-13(15)8-14-16(17)21-9-20-14/h2-8H,9H2,1H3 | |
| Standard InChI Key: | NGLORVNWTNPBMU-UHFFFAOYSA-N | |
| SMILES: | COc1c2OCOc2cc2c1c(=O)cc(o2)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 296.07 | |
| Topological polar surface area: | 54 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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