NatID | 510 |
Common Name | acido tessarico |
Molecular Formula | C15H20O3 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 248.141 g/mol |
Other names |
Smiles | C=C(C(=O)O)[C@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 |
Inchi | InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m1/s1 |
Inchi Key | GAWKUNMREBFQOL-VPJDZLOFSA-N |
3D Structure |
clogP | 2.97 |
TPSA | 54.37 |
HBD | 1 |
HBA | 2 |
Rotatable Bonds | 2 |
Aromatic Rings | 0 |
Heavy Atoms | 18 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9930 | Tessaria absinthioides | No | High | Kurina Sanz, M. B., Donadel, O. J., Rossomando, P. C., Tonn, C. E., & Guerreiro, E. (1997). Sesquiterpenes from Tessaria absinthioides. Phytochemistry, 44(5), 897–900. https://doi.org/10.1016/s0031-9422(96)00590-0 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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