Bioactive Compound Details
| BioID | bio253 |
|---|---|
| Name | GALPHIN C |
| ChEMBL ID | CHEMBL500439 |
| Molecular Formula | C38H52O14 |
| Molecular Weight | 732.82 |
| Molecular Weight (Monoisotopic) | 732.3357 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Galphin C |
| Smiles | C=C1C[C@@H](OC(C)=O)[C@]2(C)CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(COC(C)=O)[C@@H](C)OC(=O)[C@H]6O[C@H]6[C@H]5[C@]4(C)C[C@H](OC(C)=O)[C@@]3(C(=O)OC)[C@]2(O)C1 |
| Inchi | InChI=1S/C38H52O14/c1-18-13-25(50-22(5)41)34(8)11-12-35(9)29-24(49-21(4)40)15-36(17-47-20(3)39)19(2)48-31(43)28-27(52-28)30(36)33(29,7)16-26(51-23(6)42)38(35,32(44)46-10)37(34,45)14-18/h19,24-30,45H,1,11-17H2,2-10H3/t19-,24-,25-,26+,27-,28+,29+,30+,33-,34+,35-,36+,37+,38+/m1/s1 |
| Inchi Key | VYXXVIXVFCBYMZ-VUXZEDCXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.3 |
| Records Key | ['3, Galphin C'] |
| Records Name | ['(4R)-7alpha,22beta,12alpha,24-tetraacetoxy-13alpha-carbomethoxy-1beta,2beta-epoxy-18beta-hydroxy-30-nor-3,4-secofriedela-20(29)-en-3,4-olide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
