General Characteristics
2D structure
NatID 1058
Common Name NatID_1058
Molecular Formula C22H38O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 366.277 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](OC(C)=O)[C@]2(C)O
Inchi InChI=1S/C22H38O4/c1-8-19(4,24)13-14-20(5)15(2)11-12-21(6)17(20)9-10-18(22(21,7)25)26-16(3)23/h8,15,17-18,24-25H,1,9-14H2,2-7H3/t15-,17-,18-,19+,20+,21-,22+/m1/s1
Inchi Key WNXAFURUQFJKPW-GTVZXSPQSA-N
3D Structure

 

Calculated Properties
clogP 4.24
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 5
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9190 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