General Characteristics
| NatID | 1087 |
| Common Name | NatID_1087 |
| Molecular Formula | C10H16O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 152.120 g/mol |
| Other names |
Representations
| Smiles | C=C1CC[C@@H](C(=C)C)C[C@H]1O |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10-/m1/s1 |
| Inchi Key | PNVTXOFNJFHXOK-NXEZZACHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.28 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9235 | Lippia integrifolia | No | Unknown | del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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