General Characteristics
2D structure
NatID 432
Common Name Methyl 8,17-bisnor-8-oxagrindelic acid
Molecular Formula C19H30O5
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 338.209 g/mol
Other names

 

Representations
Smiles COC(=O)C[C@]1(C)CC[C@]2(OC(=O)C[C@H]3C(C)(C)CCC[C@@]32C)O1
Inchi InChI=1S/C19H30O5/c1-16(2)7-6-8-18(4)13(16)11-14(20)23-19(18)10-9-17(3,24-19)12-15(21)22-5/h13H,6-12H2,1-5H3/t13-,17-,18-,19-/m0/s1
Inchi Key GLAMGKFUSHSJAV-VKOGCVSHSA-N
3D Structure

 

Calculated Properties
clogP 3.59
TPSA 61.83
HBD 0
HBA 5
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 24
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9828 Grindelia chiloensis No High de los A. Mesurado, M., Arias Cassará, M. L., Misico, R., Bardón, A., Ybarra, M. I., & Cartagena, E. (2017). A New Depigmenting-Antifungal Methylated Grindelane from Grindelia chiloensis. Chemistry & Biodiversity, 14(5), e1600426. Portico. https://doi.org/10.1002/cbdv.201600426

 

Bioassay ID NPASS ID Target Activity type Activity