General Characteristics
| NatID | 1175 |
| Common Name | NatID_1175 |
| Molecular Formula | C10H18O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 154.136 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCC/C(C)=C/CO |
| Inchi | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
| Inchi Key | GLZPCOQZEFWAFX-JXMROGBWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.67 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9418 | Helenium argentinum | No | Very High | Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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