NatID | 1118 |
Common Name | NatID_1118 |
Molecular Formula | C15H20O4 |
Chemical Class | Prenol lipids > Terpene lactones |
Molecular Weight | 264.136 g/mol |
Other names |
Smiles | C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C[C@H]12)[C@@H](C)C[C@H](O)[C@H]3O |
Inchi | InChI=1S/C15H20O4/c1-7-4-11(16)13(17)15(3)6-12-9(5-10(7)15)8(2)14(18)19-12/h5,7,9,11-13,16-17H,2,4,6H2,1,3H3/t7-,9+,11-,12+,13+,15+/m0/s1 |
Inchi Key | HIBZAZPNOPSITK-JVZUUUBUSA-N |
3D Structure |
clogP | 1.18 |
TPSA | 66.76 |
HBD | 2 |
HBA | 4 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 19 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 4 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9292 | Hyaloseris andrade-limae | No | Very High | de Trimarco, J. T., de Riscala, E. C., Catalán, C. A. N., Griffin, C. L., & Herz, W. (2004). Sesquiterpene lactones and a neolignan from Hyaloseris andrade-limae. Biochemical Systematics and Ecology, 32(11), 1063–1067. https://doi.org/10.1016/j.bse.2004.02.013 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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