General Characteristics
| NatID | 1179 |
| Common Name | NatID_1179 |
| Molecular Formula | C15H18O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 230.131 g/mol |
| Other names |
Representations
| Smiles | CC1=C2C(=C(C=O)CCC3C2C3(C)C)CC1=O |
| Inchi | InChI=1S/C15H18O2/c1-8-12(17)6-10-9(7-16)4-5-11-14(13(8)10)15(11,2)3/h7,11,14H,4-6H2,1-3H3 |
| Inchi Key | BPXYHOSEAKFLHE-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.84 |
| TPSA | 34.14 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9430 | Mandevilla pentlandiana | No | Very High | Cabrera, G. M., Oberti, J. C., Gros, E. G., & Seldes, A. M. (1993). Aromadendrane sesquiterpene from Mandevilla pentlandiana. Phytochemistry, 34(6), 1642–1643. https://doi.org/10.1016/s0031-9422(00)90863-x |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||