Bioactive Compound Details
| BioID | bio575 |
|---|---|
| Name | KABIRAMIDE C |
| ChEMBL ID | CHEMBL443430 |
| Molecular Formula | C48H71N5O14 |
| Molecular Weight | 942.12 |
| Molecular Weight (Monoisotopic) | 941.4998 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Kabiramide C |
| Smiles | CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC |
| Inchi | InChI=1S/C48H71N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-33,38-41,44-45,56H,13,15-16,19-22H2,1-11H3,(H2,49,58)/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+/m0/s1 |
| Inchi Key | VDALFVIVHBKWES-NODZMMCWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 13.0 |
| Bioactivities | 17.0 |
| Np Likeness Score | 1.16 |
| Records Key | ['4', '5', '1', 'kabiramide C'] |
| Records Name | ['kabiramide C', 'kabiramide C', 'kabiramide C', 'kabiramide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
