Bioactive Compound Details
| BioID | bio676 |
|---|---|
| Name | HALISHIGAMIDE C |
| ChEMBL ID | CHEMBL499496 |
| Molecular Formula | C44H64N4O14 |
| Molecular Weight | 873.01 |
| Molecular Weight (Monoisotopic) | 872.4419 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Halishigamide C |
| Smiles | COC(=O)c1coc(-c2coc(/C=C/CCC(C)C(CC(OC)C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC(=O)CC(O)C/C=C/C(=O)C(C)C(OC)C(N)=O)n2)n1 |
| Inchi | InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39-46-32(24-60-39)43-47-33(25-61-43)44(55)59-9)38(62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)42(45)54)23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,54)/b16-12+,18-11+,21-13+ |
| Inchi Key | UFRHNFYNJYFNGW-JKQLDQSBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.79 |
| Records Key | ['3'] |
| Records Name | ['halishigamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
