General Characteristics
2D structure
NatID 40
Common Name Altamisic acid
Molecular Formula C15H20O5
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 280.131 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C(CCC(=O)O)[C@@]2(C)O
Inchi InChI=1S/C15H20O5/c1-8-4-5-10-9(2)14(18)20-13(10)15(3,19)11(8)6-7-12(16)17/h10,13,19H,2,4-7H2,1,3H3,(H,16,17)/t10-,13+,15+/m0/s1
Inchi Key PPUVIGSDWLRHCY-PSOPSSQASA-N
3D Structure

 

Calculated Properties
clogP 1.81
TPSA 83.83
HBD 2
HBA 4
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9248 Ambrosia tenuifolia No Very High Oberti, J. C., Silva, G. L., Sosa, V. E., Kulanthaivel, P., & Herz, W. (1986). Ambrosanolides and secoambrosanolides from Ambrosia tenuifolia. Phytochemistry, 25(6), 1355–1358. https://doi.org/10.1016/s0031-9422(00)81289-3

 

Bioassay ID NPASS ID Target Activity type Activity