Irisolidone
Representations & DB's id
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| ChEBI: | CHEBI:5972 | |
|---|---|---|
| ChEMBL: | CHEMBL265945 | |
| PubChem: | 5281781 | |
| IUPAC: | 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3 | |
| Standard InChI Key: | VOOFPOMXNLNEOF-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1coc2c(c1=O)c(O)c(c(c2)O)OC | |
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 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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