General Characteristics
2D structure
NatID 1722
Common Name NatID_1722
Molecular Formula C20H22O5
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 342.147 g/mol
Other names 1619942-27-6

 

Representations
Smiles C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(COC(=O)C=C(C)C)C(=O)O[C@@]13O[C@H]32
Inchi InChI=1S/C20H22O5/c1-9(2)5-16(21)23-8-12-15-7-13-10(3)11-6-14(11)19(13,4)18-20(15,25-18)24-17(12)22/h5,11,13-14,18H,3,6-8H2,1-2,4H3/t11-,13+,14-,18+,19-,20-/m1/s1
Inchi Key FAMQFDOGESNAQV-UFNVSVSTSA-N
3D Structure

 

Calculated Properties
clogP 2.68
TPSA 65.13
HBD 0
HBA 5
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10444 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