General Characteristics
| NatID | 1788 |
| Common Name | NatID_1788 |
| Molecular Formula | C26H10Br8N4O4 |
| Chemical Class | Pyrrolopyrazines |
| Molecular Weight | 1073.417 g/mol |
| Other names | 1610046-68-8 |
Representations
| Smiles | O=c1c2c(Br)c(Br)cn2c(-c2cc(Br)c(O)c(Br)c2)cn1-n1cc(-c2cc(Br)c(O)c(Br)c2)n2c(Br)c(Br)cc2c1=O |
| Inchi | InChI=1S/C26H10Br8N4O4/c27-11-1-9(2-12(28)22(11)39)18-7-37(26(42)21-20(33)16(32)6-35(18)21)36-8-19(10-3-13(29)23(40)14(30)4-10)38-17(25(36)41)5-15(31)24(38)34/h1-8,39-40H |
| Inchi Key | PTVJGXRBAVHEEH-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 9.67 |
| TPSA | 93.28 |
| HBD | 2 |
| HBA | 8 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 6 |
| Heavy Atoms | 42 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 4 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10513 | Aspidostoma giganteum | No | Low | Patiño C, L. P., Muniain, C., Knott, M. E., Puricelli, L., & Palermo, J. A. (2014). Bromopyrrole Alkaloids Isolated from the Patagonian Bryozoan Aspidostoma giganteum. Journal of Natural Products, 77(5), 1170–1178. https://doi.org/10.1021/np500012y |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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