Bioactive Compound Details
| BioID | bio101 |
|---|---|
| Name | HEDYOTOSIDE C |
| ChEMBL ID | CHEMBL2335269 |
| Molecular Formula | C29H36O15 |
| Molecular Weight | 624.59 |
| Molecular Weight (Monoisotopic) | 624.2054 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | hedyotoside C |
| Smiles | COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)/C=C/c4ccc(O)cc4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC |
| Inchi | InChI=1S/C29H36O15/c1-37-18-10-17(11-19(38-2)25(18)39-3)43-27-24(34)23(33)22(32)20(44-27)12-40-28-26(35)29(36,14-42-28)13-41-21(31)9-6-15-4-7-16(30)8-5-15/h4-11,20,22-24,26-28,30,32-36H,12-14H2,1-3H3/b9-6+/t20-,22-,23+,24-,26+,27-,28-,29-/m1/s1 |
| Inchi Key | GJEJBLXWDOIAKP-VEEFQWPTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.75 |
| Records Key | ['3, hedyotoside C'] |
| Records Name | [3,4,5-trimethoxyphenyl 6'-O-(5-O-p-coumaroyl)-beta-D-apiofuranosyl-beta-D-glucopyranoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
