Bioactive Compound Details

BioIDbio696
NameWILFORNINE C
ChEMBL IDCHEMBL509162
Molecular FormulaC50H53NO20
Molecular Weight987.96
Molecular Weight (Monoisotopic)987.3161
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
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)c1cccnc1CC[C@@](C)(OC(=O)c1ccccc1)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InchiInChI=1S/C50H53NO20/c1-26(52)62-25-49-40(66-29(4)55)36(64-27(2)53)35-38(68-42(57)31-16-11-9-12-17-31)50(49)48(8,61)39(37(65-28(3)54)41(49)67-30(5)56)69-45(60)46(6,70-43(58)32-18-13-10-14-19-32)22-21-34-33(20-15-23-51-34)44(59)63-24-47(35,7)71-50/h9-20,23,35-41,61H,21-22,24-25H2,1-8H3/t35-,36-,37+,38-,39+,40-,41+,46-,47+,48+,49-,50+/m1/s1
Inchi KeyWTRGNKRBOZTZCU-PYMTWWKESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score1.44
Records Key['3, (Wilfornine C)']
Records Name[O5-benzoyl-O5-deacetyl-9'-benzoyloxyeuonine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure