General Characteristics
| NatID | 1117 |
| Common Name | NatID_1117 |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names |
Representations
| Smiles | C=C1C[C@H](O)[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12 |
| 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/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1 |
| Inchi Key | JDSXTCWRSZUZDI-NQHOMTGGSA-N |
| 3D Structure |
Calculated Properties
| 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 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9291 | 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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