NatID | 1783 |
Nombre Común | NatID_1783 |
Fórmula Molecular | C15H8Br5N3O2 |
Tipo Químico | Indoles and derivatives > Indoles |
Peso Molecular | 656.653 g/mol |
Otros nombres | 1610046-63-3 |
Smiles | O=C1N[C@H](O)[C@H](c2c(Br)[nH]c3ccc(Br)cc23)n2c(Br)c(Br)c(Br)c21 |
Inchi | InChI=1S/C15H8Br5N3O2/c16-4-1-2-6-5(3-4)7(12(19)21-6)10-14(24)22-15(25)11-8(17)9(18)13(20)23(10)11/h1-3,10,14,21,24H,(H,22,25)/t10-,14+/m0/s1 |
Inchi Key | DEYRSKKACWHNTP-IINYFYTJSA-N |
Estructura 3D |
clogP | 5.43 |
TPSA | 70.05 |
HBD | 3 |
HBA | 3 |
Enlaces Rotables | 1 |
Anillos aromáticos | 3 |
Átomos pesados | 25 |
Carbociclos Aromáticos | 1 |
Heterociclos Aromáticos | 2 |
Número de NO | 5 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
10508 | 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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