5-Hydroxy-2-Nonylchromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1976285 | |
| PubChem: | 365028 | |
| IUPAC: | 5-hydroxy-2-nonylchromen-4-one | |
| Standard InChI: | InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-13,19H,2-8,10H2,1H3 | |
| Standard InChI Key: | SNEHYEVNOARYTM-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCc1cc(=O)c2c(o1)cccc2O | |
Molecular propeties
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| AlogP: | 4.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 288.17 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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