Bioactive Compound Details
| BioID | bio1796 |
|---|---|
| Name | SIGMOIDIN C |
| ChEMBL ID | CHEMBL229617 |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.36 |
| Molecular Weight (Monoisotopic) | 354.1103 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sigmoidin C |
| Smiles | CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 |
| Inchi | InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-8,16,21-22,24H,9H2,1-2H3/t16-/m0/s1 |
| Inchi Key | RFBNSYVWJNUVHE-INIZCTEOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.65 |
| Records Key | ['8'] |
| Records Name | ['sigmoidin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
