Irigenin
Representations & DB's id
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| ChEBI: | CHEBI:81409 | |
|---|---|---|
| ChEMBL: | CHEMBL487013 | |
| PubChem: | 5464170 | |
| IUPAC: | 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3 | |
| Standard InChI Key: | TUGWPJJTQNLKCL-UHFFFAOYSA-N | |
| SMILES: | COc1cc(cc(c1OC)O)c1coc2c(c1=O)c(O)c(c(c2)O)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 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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