General Characteristics
| NatID | 1079 |
| Common Name | NatID_1079 |
| Molecular Formula | C10H16O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 152.120 g/mol |
| Other names |
Representations
| Smiles | CC1=C[C@@H](O)[C@H]2C[C@@H]1C2(C)C |
| Inchi | InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1 |
| Inchi Key | WONIGEXYPVIKFS-DJLDLDEBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.97 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9227 | 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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