Bioactive Compound Details
| BioID | bio855 |
|---|---|
| Name | ARGUTIN C |
| ChEMBL ID | CHEMBL1651114 |
| Molecular Formula | C34H48O9 |
| Molecular Weight | 600.75 |
| Molecular Weight (Monoisotopic) | 600.3298 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Argutin C |
| Smiles | C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O |
| Inchi | InChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(37)42-25-19-26-31(40-23(5)35)43-32(41-24(6)36)34(26)27(20-25)33(7,18-17-21(3)9-2)22(4)29(38)30(34)39/h9,13-17,19,22,25,27,29-32,38-39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30-,31+,32-,33-,34-/m1/s1 |
| Inchi Key | SYVLIZAFBWNVCK-DEHQYFKSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.35 |
| Records Key | ['3, argutin C'] |
| Records Name | [(2R,5S,6S,7R,8S,9S,10S,18R,19R)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy)-6,7-dihydroxy]cleroda-3,12(E),14-triene"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
