NatID | 1268 |
Common Name | NatID_1268 |
Molecular Formula | C15H18O3 |
Chemical Class | Prenol lipids > Terpene lactones |
Molecular Weight | 246.126 g/mol |
Other names |
Smiles | C=C1C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H]2C[C@H]12 |
Inchi | InChI=1S/C15H18O3/c1-7-4-12(16)14-9(3)15(17)18-13(14)5-8(2)11-6-10(7)11/h5,10-14,16H,1,3-4,6H2,2H3/b8-5-/t10-,11+,12-,13-,14-/m1/s1 |
Inchi Key | QQCXGRMFKSSEIF-LFLLKRFNSA-N |
3D Structure |
clogP | 1.99 |
TPSA | 46.53 |
HBD | 1 |
HBA | 3 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 18 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9558 | Disynaphia multicrenulata | No | Very High | de Gutierrez, A. N., Bardón, A., Catalán, C. A. N., Gedris, T. B., & Herz, W. (2001). Sesquiterpene lactones and other constituents of Disynaphia multicrenulata from Argentina. Biochemical Systematics and Ecology, 29(6), 633–647. https://doi.org/10.1016/s0305-1978(00)00092-2 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
Loading... |