Oxyayanin A
Representations & DB's id
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| ChEBI: | CHEBI:7854 | |
|---|---|---|
| ChEMBL: | CHEMBL491989 | |
| PubChem: | 5281676 | |
| IUPAC: | 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-11(20)13(24-2)7-10(9)19/h4-7,19-21H,1-3H3 | |
| Standard InChI Key: | KGJTXYKKHKRNIM-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1cc(O)c(cc1O)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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