General Characteristics
| NatID | 45 |
| Common Name | 4β-10α-Alloaromadendrane |
| Molecular Formula | C15H26O2 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 238.193 g/mol |
| Other names |
Representations
| Smiles | CC1(C)[C@@H]2C[C@](C)(O)C[C@H]3CC[C@@](C)(O)[C@H]3[C@@H]21 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)10-8-14(3,16)7-9-5-6-15(4,17)11(9)12(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15-/m1/s1 |
| Inchi Key | TYUOUBYXWCSPRN-XZSFVTMWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.58 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9294 | Ambrosia artemisiifolia var. elatior | No | Unknown | Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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