NatID | 46 |
Nombre Común | Dihydroparthenolide |
Fórmula Molecular | C15H22O3 |
Tipo Químico | Prenol lipids > Terpene lactones |
Peso Molecular | 250.157 g/mol |
Otros nombres |
Smiles | CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 |
Inchi | InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-,12-,13+,15+/m0/s1 |
Inchi Key | GSVWPONNFJXHJL-XOBFJNJYSA-N |
Estructura 3D |
clogP | 2.84 |
TPSA | 38.83 |
HBD | 0 |
HBA | 3 |
Enlaces Rotables | 0 |
Anillos aromáticos | 0 |
Átomos pesados | 18 |
Carbociclos Aromáticos | 0 |
Heterociclos Aromáticos | 0 |
Número de NO | 3 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
9296 | 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 |
---|---|---|---|---|
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