General Characteristics
| NatID | 273 |
| Common Name | 1-Oxo-10βH-eremophila-7( 11)-en-8α-hydroxy-8β, 12-olide |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names | 1-oxo-10βH-eremophila-7(11)-en-8α-hydroxy-8β,12-olide |
Representations
| Smiles | CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@@H]3C[C@@]2(O)OC1=O |
| Inchi | InChI=1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3/t8-,11-,14+,15+/m0/s1 |
| Inchi Key | HYBIDSYXKTYHCM-YFZRIKAGSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.96 |
| TPSA | 63.60 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9153 | Senecio neaei var. incisus | No | Unknown | Pestchanker, M. J., Tonn, C. E., Rossomando, P. C., Giordano, O. S., & Guerreiro, E. (1996). Chemical Differences Between the NewSenecio hualtaranensisand the Closely RelatedS. Fabrisii. Sesquiterpenes and Pyrrolizidine Alkaloids in Three Further Species. Natural Product Letters, 8(1), 33–38. https://doi.org/10.1080/10575639608043236 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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