4'-Demethylnobiletin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL225703 | |
| PubChem: | 21593928 | |
| IUPAC: | 2-(4-hydroxy-3-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O8/c1-23-14-8-10(6-7-11(14)21)13-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,21H,1-5H3 | |
| Standard InChI Key: | NHMZUDOXUOAEOH-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC | |
Molecular propeties
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| AlogP: | 3.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 388.12 | |
| Topological polar surface area: | 92.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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