Kaempferide
Representations & DB's id
| ||
| ChEBI: | CHEBI:6099 | |
|---|---|---|
| ChEMBL: | CHEMBL40919 | |
| PubChem: | 5281666 | |
| IUPAC: | 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 | |
| Standard InChI Key: | SQFSKOYWJBQGKQ-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O | |
Molecular propeties
| ||
| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.06 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |