General Characteristics
2D structure
NatID 1735
Common Name NatID_1735
Molecular Formula C20H30O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 334.214 g/mol
Other names 77658-46-9

 

Representations
Smiles C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@@H]23
Inchi InChI=1S/C20H30O4/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-11-9-12(14(17)20)24-19(11,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15-,17-,18-,19-,20-/m1/s1
Inchi Key RNEBMVMFRKVVMY-UXFRUBCJSA-N
3D Structure

 

Calculated Properties
clogP 3.22
TPSA 66.76
HBD 2
HBA 3
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 24
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10457 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