Kumatakenin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL349724 | |
| PubChem: | 5318869 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3 | |
| Standard InChI Key: | BJBUTJQYZDYRMJ-UHFFFAOYSA-N | |
| SMILES: | COc1c(oc2c(c1=O)c(O)cc(c2)OC)c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 2.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 314.08 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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