General Characteristics
2D structure
NatID 1056
Common Name NatID_1056
Molecular Formula C20H36O3
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 324.266 g/mol
Other names

 

Representations
Smiles C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O
Inchi InChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1
Inchi Key BBYQYMNXQRGCRE-DUBPVYKHSA-N
3D Structure

 

Calculated Properties
clogP 3.67
TPSA 60.69
HBD 3
HBA 3
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 23
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9188 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