Bioactive Compound Details
| BioID | bio994 |
|---|---|
| Name | CHLORAMULTIOL C |
| ChEMBL ID | CHEMBL1097988 |
| Molecular Formula | C36H42O11 |
| Molecular Weight | 650.72 |
| Molecular Weight (Monoisotopic) | 650.2727 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Chloramultiol C |
| Smiles | C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3C[C@@]4(O)C5=C(C6=C(C)C(=O)O[C@]6(OC)[C@H](O)[C@@]5(C)[C@@H]5C[C@@H]54)[C@@]34OC(=O)C(CO)=C4C[C@@H]12 |
| Inchi | InChI=1S/C36H42O11/c1-7-14(2)27(38)45-13-34(43)21-8-18(21)31(4)22(34)10-17-16(12-37)29(40)46-35(17)23(31)11-33(42)20-9-19(20)32(5)26(33)25(35)24-15(3)28(39)47-36(24,44-6)30(32)41/h7,18-23,30,37,41-43H,8-13H2,1-6H3/b14-7+/t18-,19-,20+,21+,22-,23+,30-,31+,32+,33+,34+,35+,36+/m1/s1 |
| Inchi Key | QEKDFQHMYVWLIF-HYZASWLWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.17 |
| Records Key | ['3'] |
| Records Name | ['Chloramultiol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
