5-Acetyl-4-Hydroxycannabigerol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL553226 | |
| PubChem: | 44139615 | |
| IUPAC: | [2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6-dihydroxy-5-pentylphenyl] acetate | |
| Standard InChI: | InChI=1S/C23H34O4/c1-6-7-8-12-19-15-21(25)20(23(22(19)26)27-18(5)24)14-13-17(4)11-9-10-16(2)3/h10,13,15,25-26H,6-9,11-12,14H2,1-5H3/b17-13+ | |
| Standard InChI Key: | NQWZDPKQSSITCN-GHRIWEEISA-N | |
| SMILES: | CCCCCc1cc(O)c(c(c1O)OC(=O)C)C/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 5.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 1 | |
| Molecular Weight: | 374.25 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.522 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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