Bioactive Compound Details
| BioID | bio1144 |
|---|---|
| Name | GRINCAMYCIN C |
| ChEMBL ID | CHEMBL2011811 |
| Molecular Formula | C37H44O14 |
| Molecular Weight | 712.75 |
| Molecular Weight (Monoisotopic) | 712.2731 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Grincamycin C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)CCC1=O |
| Inchi | InChI=1S/C37H44O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-8,16-18,24-26,28-29,36,39,42-43,46H,9-15H2,1-4H3,(H,40,41)/t16-,17-,18+,24+,25-,26+,28-,29-,36+,37+/m0/s1 |
| Inchi Key | AWLGEFWKPFTPQO-SRLSEHIVSA-N |
| Molecular Species | ACID |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.59 |
| Records Key | ['2'] |
| Records Name | ['Grincamycin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
