Bioactive Compound Details
| BioID | bio663 |
|---|---|
| Name | SYMPLOCOSOSIDE C |
| ChEMBL ID | CHEMBL499214 |
| Molecular Formula | C66H106O23 |
| Molecular Weight | 1267.55 |
| Molecular Weight (Monoisotopic) | 1266.7125 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | symplocososide C |
| Smiles | CCCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)/C=C(/C)CCC=C(C)C)[C@H](OC(=O)C(C)CC)[C@]6(CO)[C@H](O)[C@H](O)[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C66H106O23/c1-14-16-26-81-57(80)51-49(86-58-46(74)44(72)38(30-68)83-58)48(76)50(87-59-47(75)45(73)43(71)37(29-67)82-59)60(88-51)84-41-23-24-63(11)39(62(41,9)10)22-25-64(12)40(63)21-20-35-36-28-61(7,8)54(85-42(70)27-33(5)19-17-18-32(3)4)55(89-56(79)34(6)15-2)66(36,31-69)53(78)52(77)65(35,64)13/h18,20,27,34,36-41,43-55,58-60,67-69,71-78H,14-17,19,21-26,28-31H2,1-13H3/b33-27-/t34?,36-,37+,38-,39-,40+,41-,43+,44-,45-,46+,47+,48-,49-,50+,51-,52-,53+,54-,55-,58-,59-,60+,63-,64+,65-,66-/m0/s1 |
| Inchi Key | NRJDYTBXPQINHA-BZNXCVIUSA-N |
| Molecular Species | None |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['9'] |
| Records Name | ['symplocososide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
