General Characteristics
| NatID | 1132 |
| Common Name | NatID_1132 |
| Molecular Formula | C19H24O7 |
| Chemical Class | Naphthofurans |
| Molecular Weight | 364.152 g/mol |
| Other names |
Representations
| Smiles | C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)[C@H]2C[C@](C)(O)[C@H](O)[C@H]3OC(=O)C(=C)[C@@]123 |
| Inchi | InChI=1S/C19H24O7/c1-8(2)16(22)25-12-6-9(3)13(20)11-7-18(5,24)14(21)15-19(11,12)10(4)17(23)26-15/h9,11-12,14-15,21,24H,1,4,6-7H2,2-3,5H3/t9-,11-,12+,14-,15-,18+,19+/m1/s1 |
| Inchi Key | UMYNHXQURQOBHS-SEKDBJBISA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.68 |
| TPSA | 110.13 |
| HBD | 2 |
| HBA | 7 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9315 | 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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