Bioactive Compound Details
| BioID | bio826 |
|---|---|
| Name | TOONACILIATAVARIN C |
| ChEMBL ID | CHEMBL2035083 |
| Molecular Formula | C32H48O7 |
| Molecular Weight | 544.73 |
| Molecular Weight (Monoisotopic) | 544.34 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Toonaciliatavarin C |
| Smiles | CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2[C@H](O)C[C@]3(C)C(=CC[C@H]3[C@H]3COC(C)(C)[C@@H](O)[C@H](O)C3)[C@@]21C |
| Inchi | InChI=1S/C32H48O7/c1-17(33)39-25-14-23-28(2,3)24(36)11-12-30(23,6)26-21(35)15-31(7)19(9-10-22(31)32(25,26)8)18-13-20(34)27(37)29(4,5)38-16-18/h10-12,18-21,23,25-27,34-35,37H,9,13-16H2,1-8H3/t18-,19+,20-,21-,23+,25-,26-,27+,30+,31+,32-/m1/s1 |
| Inchi Key | ODLHWFCGPYVKIR-QXTNUUNFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 3.47 |
| Records Key | ['3'] |
| Records Name | ['Toonaciliatavarin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
