General Characteristics
2D structure
NatID 1055
Common Name NatID_1055
Molecular Formula C20H32O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 304.240 g/mol
Other names

 

Representations
Smiles C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12
Inchi InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18?,19+,20+/m1/s1
Inchi Key KARUSPOBGJZEMI-INTGFUSFSA-N
3D Structure

 

Calculated Properties
clogP 4.68
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9187 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