General Characteristics
| NatID | 1038 |
| Common Name | NatID_1038 |
| Molecular Formula | C10H18O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 154.136 g/mol |
| Other names |
Representations
| Smiles | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1 |
| Inchi Key | DTGKSKDOIYIVQL-WEDXCCLWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.19 |
| 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 |
|---|---|---|---|---|
| 9166 | Aristolochia argentina | No | Very High | Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3 |
| 9204 | 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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