5,7-Dihydroxy-2-(3-Hydroxy-4,5-Dimethoxyphenyl)-3,6,8-Trimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL74923 | |
| PubChem: | 5352085 | |
| IUPAC: | 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-19(28-4)13(23)11-12(22)18(27-3)14(24)20(29-5)17(11)30-15/h6-7,21-22,24H,1-5H3 | |
| Standard InChI Key: | NFIDLKYHCKUWAW-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc(cc1OC)c1oc2c(OC)c(O)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
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| AlogP: | 2.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 420.11 | |
| Topological polar surface area: | 133 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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