Bioactive Compound Details
| BioID | bio1133 |
|---|---|
| Name | FUSCOCINEROSIDE C |
| ChEMBL ID | CHEMBL504637 |
| Molecular Formula | C54H85NaO26S |
| Molecular Weight | 1205.31 |
| Molecular Weight (Monoisotopic) | 1182.5128 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Fuscocineroside C |
| Smiles | CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@@]89C(=O)O[C@@](C)(C%10CCC(C)(C)O%10)[C@H]8CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)[O-])[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O.[Na+] |
| Inchi | InChI=1S/C54H86O26S.Na/c1-22-40(75-46-39(64)42(34(59)26(20-56)73-46)76-45-38(63)41(69-9)33(58)25(19-55)72-45)36(61)37(62)44(71-22)77-43-35(60)27(80-81(66,67)68)21-70-47(43)74-31-14-16-51(6)24-18-30(57)54-29(53(8,79-48(54)65)32-13-15-49(2,3)78-32)12-17-52(54,7)23(24)10-11-28(51)50(31,4)5;/h18,22-23,25-47,55-64H,10-17,19-21H2,1-9H3,(H,66,67,68);/q;+1/p-1/t22-,23-,25-,26-,27-,28+,29-,30+,31+,32?,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,51-,52+,53-,54-;/m1./s1 |
| Inchi Key | NWNVQPALWBUMIE-LBIGULCLSA-M |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['3, Fuscocineroside C'] |
| Records Name | ['3-O-[3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-beta-D-quinovopyranosyl-(1->2)-4-O-sodiumsulfato-beta-D-xylopyranosyl]-22,25-epoxy-9(11)-holostene-3beta,12alpha-diol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
