6-Paradol
Representations & DB's id
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| ChEBI: | CHEBI:10137 | |
|---|---|---|
| ChEMBL: | CHEMBL2071440 | |
| PubChem: | 94378 | |
| IUPAC: | 1-(4-hydroxy-3-methoxyphenyl)decan-3-one | |
| Standard InChI: | InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3 | |
| Standard InChI Key: | CZNLTCTYLMYLHL-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCC(=O)CCc1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 4.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 1 | |
| Molecular Weight: | 278.19 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.588 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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