Bioactive Compound Details
| BioID | bio50 |
|---|---|
| Name | INTERCEDENSIDE C |
| ChEMBL ID | CHEMBL503709 |
| Molecular Formula | C56H85NaO27S |
| Molecular Weight | 1245.33 |
| Molecular Weight (Monoisotopic) | 1222.5077 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | intercedenside 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)[C@@H]7CC[C@]89C(=O)O[C@@](C)(/C=C/C=C(C)C)[C@@]8(O)[C@@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@@H](COS(=O)(=O)[O-])[C@@H]4O)O[C@@H]3CO)OC[C@H]2O)O[C@H](CO)[C@H]1O.[Na+] |
| Inchi | InChI=1S/C56H86O27S.Na/c1-25(2)11-10-16-54(8)56(68)35(76-26(3)59)19-53(7)29-12-13-33-51(4,5)34(15-17-52(33,6)28(29)14-18-55(53,56)50(67)83-54)79-49-45(36(61)27(22-73-49)23-75-84(69,70)71)82-47-39(64)38(63)43(32(21-58)78-47)81-46-40(65)42(30(60)24-74-46)80-48-41(66)44(72-9)37(62)31(20-57)77-48;/h10-12,16,27-28,30-49,57-58,60-66,68H,13-15,17-24H2,1-9H3,(H,69,70,71);/q;+1/p-1/b16-10+;/t27-,28+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,44-,45+,46-,47-,48-,49-,52+,53-,54-,55+,56-;/m0./s1 |
| Inchi Key | LJFCQRIAKWWZII-ZUZKXFFSSA-M |
| Molecular Species | None |
| Targets | 8.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | None |
| Records Key | ['3, intercedenside C'] |
| Records Name | [16beta-acetoxy-3-O-{3'-O-methyl-beta-D-glucopyranosyl(1->3)-beta-D-xylopyranosyl(1->4)-beta-D-glucopyranosyl(1->2)-4'-O-sulfate-beta-D-xylopyranosyl}-holosta-7,22E,24-triene-3beta,17alpha-diol sodium salt"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
