Bioactive Compound Details

BioIDbio370
NameEUOJAPONINE C
ChEMBL IDCHEMBL509081
Molecular FormulaC46H49NO17
Molecular Weight887.89
Molecular Weight (Monoisotopic)887.3
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEuojaponine C
SmilesCC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O
InchiInChI=1S/C46H49NO17/c1-23-24(2)39(52)62-36-33(51)37(63-41(54)29-17-12-9-13-18-29)45(22-57-25(3)48)38(60-27(5)50)34(59-26(4)49)31-35(61-40(53)28-15-10-8-11-16-28)46(45,44(36,7)56)64-43(31,6)21-58-42(55)30-19-14-20-47-32(23)30/h8-20,23-24,31,33-38,51,56H,21-22H2,1-7H3/t23-,24-,31+,33-,34+,35+,36-,37-,38+,43-,44-,45-,46-/m0/s1
Inchi KeyHHFVGDDLOBPLQQ-MLVDEHRHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.73
Records Key['4']
Records Name['euojaponine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure