General Characteristics
2D structure
NatID 1057
Common Name NatID_1057
Molecular Formula C24H40O5
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 408.288 g/mol
Other names

 

Representations
Smiles C=C[C@@](C)(CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](OC(C)=O)[C@]2(C)O)OC(C)=O
Inchi InChI=1S/C24H40O5/c1-9-21(5,29-18(4)26)14-15-22(6)16(2)12-13-23(7)19(22)10-11-20(24(23,8)27)28-17(3)25/h9,16,19-20,27H,1,10-15H2,2-8H3/t16-,19-,20-,21+,22+,23-,24+/m1/s1
Inchi Key ZBUYVRWETACRLB-FHVOAFLLSA-N
3D Structure

 

Calculated Properties
clogP 4.81
TPSA 72.83
HBD 1
HBA 5
Rotatable Bonds 6
Aromatic Rings 0
Heavy Atoms 29
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9189 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