General Characteristics
2D structure
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