(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL480721 | |
| PubChem: | 24971180 | |
| IUPAC: | (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C26H30O5/c1-17(2)6-5-7-18(3)8-14-21-23(29)16-24(31-4)25(26(21)30)22(28)15-11-19-9-12-20(27)13-10-19/h6,8-13,15-16,27,29-30H,5,7,14H2,1-4H3/b15-11+,18-8+ | |
| Standard InChI Key: | KVLODOJZOXFBNP-PVKHHADTSA-N | |
| SMILES: | COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)C/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 5.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 422.21 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.269 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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