General Characteristics
| NatID | 1564 |
| Common Name | NatID_1564 |
| Molecular Formula | C10H16 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 136.125 g/mol |
| Other names | 138-86-3 |
Representations
| Smiles | C=C(C)C1CC=C(C)CC1 |
| Inchi | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| Inchi Key | XMGQYMWWDOXHJM-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.31 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 10 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10248 | Blepharocalyx salicifolius | No | Low | Talenti, E. C., Taher, H. A., & Ubiergo, G. O. (1984). Constituents of the Essential Oil of Blepharocalyx tweediei. Journal of Natural Products, 47(5), 905–906. https://doi.org/10.1021/np50035a036 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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