Bioactive Compound Details
| BioID | bio1264 |
|---|---|
| Name | NOVAEGUINOSIDE C |
| ChEMBL ID | CHEMBL551970 |
| Molecular Formula | C45H74Na2O22S2 |
| Molecular Weight | 1077.18 |
| Molecular Weight (Monoisotopic) | 1032.427 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | novaeguinoside C |
| Smiles | CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4C[C@@H]5C(=CC[C@]6(C)[C@@H]([C@H](C)CC[C@H](OS(=O)(=O)[O-])C(C)C)CC[C@@H]56)[C@@]5(C)CC[C@H](OS(=O)(=O)[O-])C[C@H]45)O[C@H](CO)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O.[Na+].[Na+] |
| Inchi | InChI=1S/C45H76O22S2.2Na/c1-20(2)30(67-69(56,57)58)11-8-21(3)25-9-10-26-24-17-31(28-16-23(66-68(53,54)55)12-14-45(28,6)27(24)13-15-44(25,26)5)62-42-37(52)39(35(50)32(18-46)63-42)64-43-40(34(49)29(47)19-60-43)65-41-36(51)38(59-7)33(48)22(4)61-41;;/h13,20-26,28-43,46-52H,8-12,14-19H2,1-7H3,(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2/t21-,22-,23+,24+,25-,26+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-;;/m1../s1 |
| Inchi Key | OTPOZQNAEOHAGL-VHLDZWAQSA-L |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | None |
| Records Key | ['3, novaeguinoside C'] |
| Records Name | ['(20R,24S)-6alpha-O-[3-O-methyl-beta-D-quinovopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->3)-beta-D-glucopyranosyl]-5alpha-cholest-9(11)-en-3beta,24-diyl disulfate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
