General Characteristics
| NatID | 1700 |
| Common Name | NatID_1700 |
| Molecular Formula | C10H18O2 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 170.131 g/mol |
| Other names | 4031-55-4 |
Representations
| Smiles | CC1=C[C@H](O)[C@@H](C(C)C)C[C@@H]1O |
| Inchi | InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1 |
| Inchi Key | CDEBGVXOFDWUAF-UTLUCORTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.33 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 12 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10420 | Mikania saltensis | No | Low | Cuenca, M. D. R., Catalan, C. A. N., Díaz, J. G., & Herz, W. (1991). Monoterpenes and Lignans from Mikania saltensis. Journal of Natural Products, 54(4), 1162–1164. https://doi.org/10.1021/np50076a047 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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