5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,6,8-Trimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1998369 | |
| PubChem: | 5386960 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-16-11(20)10-12(21)17(24-2)14(8-4-6-9(19)7-5-8)26-15(10)18(25-3)13(16)22/h4-7,19-20,22H,1-3H3 | |
| Standard InChI Key: | KHZSFBNUQVEEQR-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)c(OC)c2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)OC | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 115 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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