Alternariol-5-O-Methylether
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL483526 | |
| PubChem: | 5360741 | |
| IUPAC: | 3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one | |
| Standard InChI: | InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3 | |
| Standard InChI Key: | LCSDQFNUYFTXMT-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O | |
Molecular propeties
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| AlogP: | 2.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 272.07 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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