General Characteristics
2D structure
NatID 1731
Common Name NatID_1731
Molecular Formula C20H28O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 332.199 g/mol
Other names 724792-84-1

 

Representations
Smiles C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3
Inchi InChI=1S/C20H28O4/c1-11-12-9-13(21)15-18(2)6-4-7-19(3,17(23)24)14(18)5-8-20(15,10-12)16(11)22/h12-15,21H,1,4-10H2,2-3H3,(H,23,24)/t12-,13-,14+,15+,18-,19-,20-/m1/s1
Inchi Key NSFLYGNWNATSHL-SROPKWAUSA-N
3D Structure

 

Calculated Properties
clogP 3.19
TPSA 74.60
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
10453 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