General Characteristics
2D structure
NatID 41
Common Name Peruvin
Molecular Formula C15H20O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 264.136 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(O)CCC(=O)[C@@]3(C)C[C@H]12
Inchi InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)19-11)7-14(3)12(16)4-5-15(8,14)18/h8,10-11,18H,2,4-7H2,1,3H3/t8-,10+,11+,14+,15+/m0/s1
Inchi Key JPWMRQZYTCWJHW-SAPLOEGBSA-N
3D Structure

 

Calculated Properties
clogP 1.61
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
9253 Ambrosia tenuifolia No Very High Oberti, J. C., Silva, G. L., Sosa, V. E., Kulanthaivel, P., & Herz, W. (1986). Ambrosanolides and secoambrosanolides from Ambrosia tenuifolia. Phytochemistry, 25(6), 1355–1358. https://doi.org/10.1016/s0031-9422(00)81289-3

 

Bioassay ID NPASS ID Target Activity type Activity