General Characteristics
| NatID | 1131 |
| Common Name | NatID_1131 |
| Molecular Formula | C20H26O8 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 394.163 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@@H](O)[C@@](C)(O)C[C@@H]3C(=O)[C@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@]132 |
| Inchi | InChI=1S/C20H26O8/c1-6-9(2)16(23)27-12-8-19(5,26)13(21)11-7-18(4,25)14(22)15-20(11,12)10(3)17(24)28-15/h6,11-12,14-15,22,25-26H,3,7-8H2,1-2,4-5H3/b9-6+/t11-,12+,14-,15-,18+,19-,20+/m1/s1 |
| Inchi Key | DNABKRHNUZQJAR-KCVSFKBBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.19 |
| TPSA | 130.36 |
| HBD | 3 |
| HBA | 8 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 28 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9314 | Vernonanthura pinguis | No | Unknown | Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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