General Characteristics
2D structure
NatID 679
Common Name 3α-acetoxycarvotagenone
Molecular Formula C12H18O3
Chemical Class Fatty Acyls > Fatty alcohol esters
Molecular Weight 210.126 g/mol
Other names 3α−acetoxicarvotagenona

 

Representations
Smiles CC(=O)O[C@H]1C=C(C)C(=O)C[C@@H]1C(C)C
Inchi InChI=1S/C12H18O3/c1-7(2)10-6-11(14)8(3)5-12(10)15-9(4)13/h5,7,10,12H,6H2,1-4H3/t10-,12+/m1/s1
Inchi Key FVNRSXAIFHCDLC-PWSUYJOCSA-N
3D Structure

 

Calculated Properties
clogP 2.11
TPSA 43.37
HBD 0
HBA 3
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9853 Artemisia douglasiana No High Guerreiro, E., Garcia, E. E., Pestchanker, M. J., Enriz, R. D., Rodriguez, A. M., Maria, A., & Wendel, G. H. (1995). Cytoprotective Activity of Minor Constituents ofArtemisia Douglasiana. Natural Product Letters, 6(4), 269–280. https://doi.org/10.1080/10575639508043170

 

Bioassay ID NPASS ID Target Activity type Activity