Nevadensin
Representations & DB's id
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| ChEBI: | CHEBI:7545 | |
|---|---|---|
| ChEMBL: | CHEMBL312073 | |
| PubChem: | 160921 | |
| IUPAC: | 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3 | |
| Standard InChI Key: | KRFBMPVGAYGGJE-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O | |
Molecular propeties
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| AlogP: | 2.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.09 | |
| Topological polar surface area: | 94.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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