Bioactive Compound Details
| BioID | bio362 |
|---|---|
| Name | SPHECIOSTEROL SULFATE C |
| ChEMBL ID | CHEMBL446072 |
| Molecular Formula | C32H51Na3O13S3 |
| Molecular Weight | 808.92 |
| Molecular Weight (Monoisotopic) | 742.2727 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Spheciosterol sulfate C |
| Smiles | C=C(C)C(C)(C)C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS(=O)(=O)[O-])[C@H]4[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)C3=CC[C@]12C.[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C32H54O13S3.3Na/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8;;;/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+;;;/m1.../s1 |
| Inchi Key | IIRZANLTGAKUOO-ILLBXFJWSA-K |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.51 |
| Records Key | ['3'] |
| Records Name | ['Spheciosterol sulfate C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
