Wighteone
Representations & DB's id
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| ChEBI: | CHEBI:10038 | |
|---|---|---|
| ChEMBL: | CHEMBL393222 | |
| PubChem: | 5281814 | |
| IUPAC: | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 | |
| Standard InChI Key: | KIMDVVKVNNSHGZ-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C | |
Molecular propeties
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| AlogP: | 4.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 338.12 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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