General Characteristics
| NatID | 1050 |
| Common Name | NatID_1050 |
| Molecular Formula | C11H18O2 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 182.131 g/mol |
| Other names |
Representations
| Smiles | CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC=O)C2 |
| Inchi | InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m0/s1 |
| Inchi Key | RDWUNORUTVEHJF-ATZCPNFKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.37 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 13 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9181 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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