Bioactive Compound Details

BioIDbio424
NameTRICOLORIN C
ChEMBL IDCHEMBL505541
Molecular FormulaC50H86O22
Molecular Weight1039.22
Molecular Weight (Monoisotopic)1038.5611
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTricolorin C
SmilesCCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](C)O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC
InchiInChI=1S/C50H86O22/c1-9-11-17-20-30-21-18-15-13-12-14-16-19-22-32(53)67-40-35(56)31(23-51)66-50(70-41-37(58)34(55)28(7)63-48(41)65-30)43(40)72-49-44(69-45(60)24(3)10-2)42(71-47-38(59)36(57)33(54)27(6)62-47)39(29(8)64-49)68-46(61)25(4)26(5)52/h24-31,33-44,47-52,54-59H,9-23H2,1-8H3/t24-,25+,26+,27-,28+,29-,30-,31+,33-,34-,35+,36+,37-,38+,39-,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1
Inchi KeyFEAFVOWMUGCJPB-GLDZGXLHSA-N
Molecular SpeciesNone
Targets2.0
Bioactivities6.0
Np Likeness ScoreNone
Records Key['3']
Records Name['tricolorin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure