General Characteristics
| NatID | 1088 |
| Common Name | NatID_1088 |
| Molecular Formula | C15H24O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 220.183 g/mol |
| Other names |
Representations
| Smiles | C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)C[C@H](O)C1 |
| Inchi | InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m1/s1 |
| Inchi Key | ASLIKDGYUZGYOV-MGPQQGTHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.70 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9236 | 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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