General Characteristics
| NatID | 1040 |
| Common Name | NatID_1040 |
| Molecular Formula | C15H24 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 204.188 g/mol |
| Other names |
Representations
| Smiles | C=CC(=C)CC/C=C(\C)CCC=C(C)C |
| Inchi | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+ |
| Inchi Key | JSNRRGGBADWTMC-NTCAYCPXSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.20 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 7 |
| Aromatic Rings | 0 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9171 | 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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