5,6-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7,8-Dimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | CHEBI:9582 | |
|---|---|---|
| ChEMBL: | CHEMBL478416 | |
| PubChem: | 442662 | |
| IUPAC: | 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3 | |
| Standard InChI Key: | BAIRXMVFPKLWSE-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)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 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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