General Characteristics
2D structure
NatID 525
Common Name 1-oxo-10βH-eremophila-7(11)-en-8α-,12-olide
Molecular Formula C15H20O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 248.141 g/mol
Other names

 

Representations
Smiles CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@@H]3C[C@@H]2OC1=O
Inchi InChI=1S/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3/t8-,11-,13-,15+/m0/s1
Inchi Key IXMDYOSMFGVWJY-ZUVQAIGSSA-N
3D Structure

 

Calculated Properties
clogP 2.64
TPSA 43.37
HBD 0
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9152 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