4-Acetoxy-2-Geranyl-5-Hydroxy-3-N-Pentylphenol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL560417 | |
| PubChem: | 44139611 | |
| IUPAC: | [3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-2-pentylphenyl] acetate | |
| Standard InChI: | InChI=1S/C23H34O4/c1-6-7-8-12-20-19(14-13-17(4)11-9-10-16(2)3)21(25)15-22(26)23(20)27-18(5)24/h10,13,15,25-26H,6-9,11-12,14H2,1-5H3/b17-13+ | |
| Standard InChI Key: | DZLSXQDQGMAPKJ-GHRIWEEISA-N | |
| SMILES: | CCCCCc1c(C/C=C(/CCC=C(C)C)C)c(O)cc(c1OC(=O)C)O | |
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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