Bioactive Compound Details
| BioID | bio1047 |
|---|---|
| Name | GAGUNIN C |
| ChEMBL ID | CHEMBL447680 |
| Molecular Formula | C36H56O11 |
| Molecular Weight | 664.83 |
| Molecular Weight (Monoisotopic) | 664.3823 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Gagunin C |
| Smiles | CCCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2[C@H]3C=C(C)[C@H](O)[C@H](OC(C)=O)[C@@H](OC(=O)CCC)[C@]3(C)C[C@H](OC(=O)CCC)[C@]2(C)[C@H]1OC(C)=O |
| Inchi | InChI=1S/C36H56O11/c1-11-14-25(39)45-24-18-35(9)23(17-20(6)30(42)32(43-21(7)37)33(35)47-27(41)16-13-3)29-28(19(4)5)31(46-26(40)15-12-2)34(36(24,29)10)44-22(8)38/h17,19,23-24,28-34,42H,11-16,18H2,1-10H3/t23-,24+,28-,29+,30+,31-,32+,33-,34+,35-,36+/m1/s1 |
| Inchi Key | NDLHEXURNGYVQY-QHZQYIMRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.24 |
| Records Key | ['3'] |
| Records Name | ['gagunin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
