Zederone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL331362 | |
| PubChem: | 71694446 | |
| IUPAC: | (3R,5S,8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one | |
| Standard InChI: | InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+/t14-,15-/m0/s1 | |
| Standard InChI Key: | CVIVANCKIBYAOP-WSQYCBKMSA-N | |
| SMILES: | C/C/1=CCC[C@]2(C)O[C@H]2C(=O)c2c(C1)occ2C | |
Molecular propeties
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| AlogP: | 3.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 246.13 | |
| Topological polar surface area: | 42.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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