General Characteristics
2D structure
NatID 438
Common Name (2S∗,5S∗,6S∗,7R∗,8S∗,10R∗)-2-Hydroxy-2,5-epoxy-8-methacryloxygermacra-3Z,11(13)-dien-6,12-olide
Molecular Formula C19H24O6
Chemical Class Lactones > Gamma butyrolactones
Molecular Weight 348.157 g/mol
Other names

 

Representations
Smiles C=C(C)C(=O)O[C@H]1C[C@@H](C)C[C@@]2(O)C=C(C)[C@H](O2)[C@H]2OC(=O)C(=C)[C@H]12
Inchi InChI=1S/C19H24O6/c1-9(2)17(20)23-13-6-10(3)7-19(22)8-11(4)15(25-19)16-14(13)12(5)18(21)24-16/h8,10,13-16,22H,1,5-7H2,2-4H3/t10-,13+,14-,15+,16+,19+/m1/s1
Inchi Key RVJOETCQOOQGPR-FNPIUROLSA-N
3D Structure

 

Calculated Properties
clogP 2.04
TPSA 82.06
HBD 1
HBA 6
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9024 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