Bioactive Compound Details
| BioID | bio770 |
|---|---|
| Name | CERTONARDOSIDE C |
| ChEMBL ID | CHEMBL509875 |
| Molecular Formula | C39H65NaO16S |
| Molecular Weight | 844.99 |
| Molecular Weight (Monoisotopic) | 822.4072 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Certonardoside C |
| Smiles | C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O)C(C)CO[C@@H]1OC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC.[Na+] |
| Inchi | InChI=1S/C39H66O16S.Na/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46;/h20-36,40-46H,1,7-18H2,2-6H3,(H,47,48,49);/q;+1/p-1/t20-,21?,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39+;/m1./s1 |
| Inchi Key | BFELZYPVGWVVKJ-ZYUGDXNYSA-M |
| Molecular Species | ACID |
| Targets | 10.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 2.5 |
| Records Key | ['3'] |
| Records Name | ['Certonardoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
