Axillarin
Representations & DB's id
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| ChEBI: | CHEBI:2941 | |
|---|---|---|
| ChEMBL: | CHEMBL487810 | |
| PubChem: | 5281603 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3 | |
| Standard InChI Key: | KIGVXRGRNLQNNI-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC | |
Molecular propeties
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| AlogP: | 2.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 346.07 | |
| Topological polar surface area: | 126 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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