| BioID | bio1139 |
|---|
| Name | CINERIN C |
|---|
| ChEMBL ID | CHEMBL561053 |
|---|
| Molecular Formula | C22H26O7 |
|---|
| Molecular Weight | 402.44 |
|---|
| Molecular Weight (Monoisotopic) | 402.1679 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Cinerin C |
|---|
| Smiles | C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@H]2O |
|---|
| Inchi | InChI=1S/C22H26O7/c1-6-7-13-10-21(26-4)12(2)17(22(27-5,19(13)23)20(21)24)14-8-15(25-3)18-16(9-14)28-11-29-18/h6,8-10,12,17,20,24H,1,7,11H2,2-5H3/t12-,17+,20+,21+,22+/m1/s1 |
|---|
| Inchi Key | WEUKJHJYSZGNIC-WYGHCGJFSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 19.0 |
|---|
| Np Likeness Score | 2.19 |
|---|
| Records Key | ['3, cinerin C', '3', '4'] |
|---|
| Records Name | [(7S,8R,3'R,4'S,5'R)-Delta(8')-4'-hydroxy-5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignan", 'Cinerin C', 'Cinerin C']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
