General Characteristics
2D structure
NatID 1119
Common Name NatID_1119
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]2CC(CO)=C3CC[C@@](C)(O)[C@@H]3C[C@H]12
Inchi InChI=1S/C15H20O4/c1-8-11-6-12-10(3-4-15(12,2)18)9(7-16)5-13(11)19-14(8)17/h11-13,16,18H,1,3-7H2,2H3/t11-,12-,13-,15-/m1/s1
Inchi Key PHGVVJBCXHKFDO-RGCMKSIDSA-N
3D Structure

 

Calculated Properties
clogP 1.33
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9293 Hyaloseris andrade-limae No Very High de Trimarco, J. T., de Riscala, E. C., Catalán, C. A. N., Griffin, C. L., & Herz, W. (2004). Sesquiterpene lactones and a neolignan from Hyaloseris andrade-limae. Biochemical Systematics and Ecology, 32(11), 1063–1067. https://doi.org/10.1016/j.bse.2004.02.013

 

Bioassay ID NPASS ID Target Activity type Activity