| BioID | bio111 |
|---|
| Name | MALLOTOJAPONIN C |
|---|
| ChEMBL ID | CHEMBL2337125 |
|---|
| Molecular Formula | C29H36O8 |
|---|
| Molecular Weight | 512.6 |
|---|
| Molecular Weight (Monoisotopic) | 512.241 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Mallotojaponin C |
|---|
| Smiles | COc1c(CC=C(C)C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(CC=C(C)C)c1OC |
|---|
| Inchi | InChI=1S/C29H36O8/c1-14(2)9-11-18-24(32)22(16(5)30)26(34)20(28(18)36-7)13-21-27(35)23(17(6)31)25(33)19(29(21)37-8)12-10-15(3)4/h9-10,32-35H,11-13H2,1-8H3 |
|---|
| Inchi Key | SQDDGCHCPZMCOU-UHFFFAOYSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | 1.02 |
|---|
| Records Key | ['2', '1'] |
|---|
| Records Name | ['Mallotojaponin C', 'Mallatojapinin C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
