Cyclocitral
Representations & DB's id
| ||
| ChEBI: | CHEBI:53177 | |
|---|---|---|
| ChEMBL: | CHEMBL1952257 | |
| PubChem: | 9895 | |
| IUPAC: | 2,6,6-trimethylcyclohexene-1-carbaldehyde | |
| Standard InChI: | InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3 | |
| Standard InChI Key: | MOQGCGNUWBPGTQ-UHFFFAOYSA-N | |
| SMILES: | O=CC1=C(C)CCCC1(C)C | |
Molecular propeties
| ||
| AlogP: | 2.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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