Bioactive Compound Details
| BioID | bio1271 |
|---|---|
| Name | SINOCALYCANCHINENSIN C |
| ChEMBL ID | CHEMBL1774187 |
| Molecular Formula | C49H82O4 |
| Molecular Weight | 735.19 |
| Molecular Weight (Monoisotopic) | 734.6213 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sinocalycanchinensin C |
| Smiles | C=C[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| Inchi | InChI=1S/C49H82O4/c1-11-41-24-25-43-47(10)29-26-42(39(7)22-15-23-40(8)45(51)52)46(47,9)31-32-49(43)34-48(41,49)30-27-44(50)53-33-28-38(6)21-14-20-37(5)19-13-18-36(4)17-12-16-35(2)3/h11,23,28,35-37,39,41-43H,1,12-22,24-27,29-34H2,2-10H3,(H,51,52)/b38-28+,40-23-/t36-,37-,39-,41-,42-,43+,46-,47+,48-,49+/m1/s1 |
| Inchi Key | KIXAYBXRVFMHKU-RCWCAHRPSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.45 |
| Records Key | ['3'] |
| Records Name | ['Sinocalycanchinensin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
