General Characteristics
| NatID | 367 |
| Common Name | Lippifoli-1(6)-En-5-One |
| Molecular Formula | C15H22O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 218.167 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1CCC2=C(C1=O)C(C)(C)C[C@H]1C[C@@]21C |
| Inchi | InChI=1S/C15H22O/c1-9-5-6-11-12(13(9)16)14(2,3)7-10-8-15(10,11)4/h9-10H,5-8H2,1-4H3/t9-,10+,15-/m1/s1 |
| Inchi Key | GGVZJDBDOZDSMR-HFBDOXOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.74 |
| TPSA | 17.07 |
| HBD | 0 |
| 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 |
|---|---|---|---|---|
| 9203 | 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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