Cis-Jasmone
Representations & DB's id
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| ChEBI: | CHEBI:6084 | |
|---|---|---|
| ChEMBL: | CHEMBL2251602 | |
| PubChem: | 1549018 | |
| IUPAC: | 3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one | |
| Standard InChI: | InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- | |
| Standard InChI Key: | XMLSXPIVAXONDL-PLNGDYQASA-N | |
| SMILES: | CC/C=CCC1=C(C)CCC1=O | |
Molecular propeties
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| AlogP: | 3.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.545 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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