General Characteristics
2D structure
NatID 1717
Common Name NatID_1717
Molecular Formula C21H30O8
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 410.194 g/mol
Other names 106009-45-4

 

Representations
Smiles C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12
Inchi InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1
Inchi Key LBJIOPYQHNZVLF-FKWIIEMVSA-N
3D Structure

 

Calculated Properties
clogP -0.11
TPSA 125.68
HBD 4
HBA 8
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 29
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
10439 Hyalis argentea var. latisquama No Low Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u

 

Bioassay ID NPASS ID Target Activity type Activity