Bioactive Compound Details
| BioID | bio1041 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2087607 |
| Molecular Formula | C38H50O7 |
| Molecular Weight | 618.81 |
| Molecular Weight (Monoisotopic) | 618.3557 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rel-Nujiangefolin C |
| Smiles | C=C(C)CCC(C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@]3(C[C@@H](C(C)(C)O)OC3=C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C |
| Inchi | InChI=1S/C38H50O7/c1-21(2)11-13-25(23(5)6)18-37-19-26(15-12-22(3)4)35(7,8)38(34(37)43)20-29(36(9,10)44)45-33(38)30(32(37)42)31(41)24-14-16-27(39)28(40)17-24/h12,14,16-17,25-26,29,39-40,44H,1,5,11,13,15,18-20H2,2-4,6-10H3/t25?,26-,29-,37-,38+/m0/s1 |
| Inchi Key | RPXLWBSMDMQNLN-VKGMZIDVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 12.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 2.46 |
| Records Key | ['5'] |
| Records Name | ['rel-Nujiangefolin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
