General Characteristics
2D structure
NatID 440
Common Name (2S∗,5S∗,6S∗,7R∗,8S∗,10R∗)-2-Methoxy-2,5-epoxy-8-methacryloxygermacra3Z,11(13)-dien-6,12-olide
Molecular Formula C20H26O6
Chemical Class Organooxygen compounds > Ethers
Molecular Weight 362.173 g/mol
Other names

 

Representations
Smiles C=C(C)C(=O)O[C@H]1C[C@@H](C)C[C@@]2(OC)C=C(C)[C@H](O2)[C@H]2OC(=O)C(=C)[C@H]12
Inchi InChI=1S/C20H26O6/c1-10(2)18(21)24-14-7-11(3)8-20(23-6)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h9,11,14-17H,1,5,7-8H2,2-4,6H3/t11-,14+,15-,16+,17+,20+/m1/s1
Inchi Key CGSNEGIPYWDJJL-UHWVYGMRSA-N
3D Structure

 

Calculated Properties
clogP 2.69
TPSA 71.06
HBD 0
HBA 6
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9025 Vernonanthura lipeoensis No Very High Pollora, G. C., Bardón, A., Catálan, C. A. N., Gedris, T. E., & Herz, W. (2003). Elephantopus-type sesquiterpene lactones from a Vernonanthura species, Vernonanthura nebularum. Biochemical Systematics and Ecology, 31(4), 397–405. https://doi.org/10.1016/s0305-1978(02)00167-9

 

Bioassay ID NPASS ID Target Activity type Activity