General Characteristics
2D structure
NatID 1059
Common Name NatID_1059
Molecular Formula C20H36O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 340.261 g/mol
Other names

 

Representations
Smiles C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC[C@@](C)(O)[C@@H]1CO1
Inchi InChI=1S/C20H36O4/c1-13-8-9-18(3)14(6-7-15(21)20(18,5)23)17(13,2)10-11-19(4,22)16-12-24-16/h13-16,21-23H,6-12H2,1-5H3/t13-,14-,15-,16+,17+,18-,19-,20+/m1/s1
Inchi Key MMNMMBJQRRZSJV-GCSNKARASA-N
3D Structure

 

Calculated Properties
clogP 2.88
TPSA 73.22
HBD 3
HBA 4
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 24
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9191 Aldama tucumanensis No Very High Vaccarini, C. E., Palacios, S. M., Meragelman, K. M., & Sosa, V. E. (2002). Antifeedant Activity of Metabolites from Viguiera Tucumanensis. Natural Product Letters, 16(5), 323–327. https://doi.org/10.1080/10575630290030711

 

Bioassay ID NPASS ID Target Activity type Activity