General Characteristics
2D structure
NatID 39
Common Name Altamisin
Molecular Formula C17H24O5
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 308.162 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C(CCC(=O)OCC)[C@@]2(C)O
Inchi InChI=1S/C17H24O5/c1-5-21-14(18)9-8-13-10(2)6-7-12-11(3)16(19)22-15(12)17(13,4)20/h12,15,20H,3,5-9H2,1-2,4H3/t12-,15+,17+/m0/s1
Inchi Key UBODNQTWXZCHMY-XGWLTEMNSA-N
3D Structure

 

Calculated Properties
clogP 2.29
TPSA 72.83
HBD 1
HBA 5
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9249 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
9298 Ambrosia artemisiifolia var. elatior No Unknown Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e

 

Bioassay ID NPASS ID Target Activity type Activity