Bioactive Compound Details
| BioID | bio922 |
|---|---|
| Name | TETRIN C |
| ChEMBL ID | CHEMBL526359 |
| Molecular Formula | C34H47NO14 |
| Molecular Weight | 693.74 |
| Molecular Weight (Monoisotopic) | 693.2997 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Tetrin C |
| Smiles | C[C@H]1/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)CC(=O)C(=O)/C=C/C(=O)O[C@@H]1C)C[C@H](O)[C@H]2C(=O)O |
| Inchi | InChI=1S/C34H47NO14/c1-18-10-8-6-4-5-7-9-11-22(48-33-31(42)29(35)30(41)20(3)47-33)15-26-28(32(43)44)25(39)17-34(45,49-26)16-21(36)14-24(38)23(37)12-13-27(40)46-19(18)2/h4-13,18-22,25-26,28-31,33,36,39,41-42,45H,14-17,35H2,1-3H3,(H,43,44)/b6-4+,7-5+,10-8+,11-9+,13-12+/t18-,19+,20+,21-,22-,25-,26-,28+,29-,30+,31-,33-,34+/m0/s1 |
| Inchi Key | UJPDKFMROAFFOA-GCMKIPFNSA-N |
| Molecular Species | ZWITTERION |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.16 |
| Records Key | ['1'] |
| Records Name | ['tetrin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
