(-)-Citronellal
Representations & DB's id
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| ChEBI: | CHEBI:368 | |
|---|---|---|
| ChEMBL: | CHEMBL2426622 | |
| PubChem: | 443157 | |
| IUPAC: | (3S)-3,7-dimethyloct-6-enal | |
| Standard InChI: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1 | |
| Standard InChI Key: | NEHNMFOYXAPHSD-JTQLQIEISA-N | |
| SMILES: | O=CC[C@H](CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 2.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 154.14 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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