General Characteristics
2D structure
NatID 1733
Common Name NatID_1733
Molecular Formula C17H18O4
Chemical Class Naphthofurans
Molecular Weight 286.121 g/mol
Other names 76015-57-1

 

Representations
Smiles C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(COC(C)=O)=C3C[C@@H]12
Inchi InChI=1S/C17H18O4/c1-8-10-4-14(10)17(3)6-15-11(5-13(8)17)12(16(19)21-15)7-20-9(2)18/h6,10,13-14H,1,4-5,7H2,2-3H3/t10-,13+,14-,17-/m1/s1
Inchi Key UMDGLGBILDVFOU-KEAXFYSCSA-N
3D Structure

 

Calculated Properties
clogP 2.52
TPSA 52.60
HBD 0
HBA 4
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 21
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10455 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