Allo-Ocimene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2268552 | |
| PubChem: | 5368821 | |
| IUPAC: | (4E,6E)-2,6-dimethylocta-2,4,6-triene | |
| Standard InChI: | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+ | |
| Standard InChI Key: | GQVMHMFBVWSSPF-SOYUKNQTSA-N | |
| SMILES: | C/C=C(/C=C/C=C(C)C)C | |
Molecular propeties
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| AlogP: | 3.48 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 136.13 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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