General Characteristics
2D structure
NatID 1335
Common Name NatID_1335
Molecular Formula C15H20O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 264.136 g/mol
Other names

 

Representations
Smiles C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2C(=C)CC[C@@H]12
Inchi InChI=1S/C15H20O4/c1-8-4-6-11-13(12-9(2)3-5-10(8)12)19-14(17)15(11,18)7-16/h10-13,16,18H,1-7H2/t10-,11+,12-,13-,15-/m0/s1
Inchi Key RQNNFZZLPUJGMA-KBRXKUPHSA-N
3D Structure

 

Calculated Properties
clogP 1.18
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
9663 Helianthus petiolaris No Very High Meragelman, K. M., Espinar, L. A., & Sosa, V. E. (1998). New Sesquiterpene Lactones and Other Constituents from Helianthus petiolaris. Journal of Natural Products, 61(1), 105–107. https://doi.org/10.1021/np9701384

 

Bioassay ID NPASS ID Target Activity type Activity