Bioactive Compound Details
| BioID | bio797 |
|---|---|
| Name | FUCATOSIDE C |
| ChEMBL ID | CHEMBL1077923 |
| Molecular Formula | C33H42O19 |
| Molecular Weight | 742.68 |
| Molecular Weight (Monoisotopic) | 742.232 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | fucatoside C |
| Smiles | O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO |
| Inchi | InChI=1S/C33H42O19/c34-11-22-24(50-23(41)6-3-16-1-4-18(37)20(39)9-16)25(51-30-27(42)32(44,12-35)14-47-30)26(52-31-28(43)33(45,13-36)15-48-31)29(49-22)46-8-7-17-2-5-19(38)21(40)10-17/h1-6,9-10,22,24-31,34-40,42-45H,7-8,11-15H2/b6-3+/t22-,24-,25+,26-,27+,28+,29-,30+,31+,32+,33+/m1/s1 |
| Inchi Key | GOOONRUWDVUFHP-QNXTZJCGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.58 |
| Records Key | ['3, fucatoside C'] |
| Records Name | ['1-O-3,4-(dihydroxyphenyl)ethyl-O-alpha-L-apiofuranosyl-(1->2)-O-alpha-L-apiofuranosyl-(1->3)-4-O-caffeoyl-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
