Bioactive Compound Details
| BioID | bio1487 |
|---|---|
| Name | ALSTIPHYLLANINE C |
| ChEMBL ID | CHEMBL558934 |
| Molecular Formula | C34H41N2O9+ |
| Molecular Weight | 621.71 |
| Molecular Weight (Monoisotopic) | 621.2807 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Alstiphyllanine C |
| Smiles | C/C=C1/C[N+]2(C)[C@@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC |
| Inchi | InChI=1S/C34H41N2O9/c1-9-19-17-36(3)27-15-22(19)32(31(38)43-8,18-44-30(37)20-12-25(40-5)29(42-7)26(13-20)41-6)33-16-28(36)45-34(27,33)35(2)24-11-10-21(39-4)14-23(24)33/h9-14,22,27-28H,15-18H2,1-8H3/q+1/b19-9-/t22-,27-,28-,32-,33-,34-,36?/m0/s1 |
| Inchi Key | WHACFBRHAHLZJN-AXWMRBGZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.75 |
| Records Key | ['3', '9'] |
| Records Name | ['Alstiphyllanine C', 'Alstiphyllanine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
