General Characteristics
2D structure
NatID 1114
Common Name NatID_1114
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@]3(C)C(=C[C@@H]12)[C@@H](C)C[C@H](O)[C@H]3O
Inchi InChI=1S/C15H20O4/c1-7-4-11(16)13(17)15(3)6-12-9(5-10(7)15)8(2)14(18)19-12/h5,7,9,11-13,16-17H,2,4,6H2,1,3H3/t7-,9-,11-,12+,13+,15+/m0/s1
Inchi Key HIBZAZPNOPSITK-WKUBDTHQSA-N
3D Structure

 

Calculated Properties
clogP 1.18
TPSA 66.76
HBD 2
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
9288 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