Bioactive Compound Details

BioIDbio562
NamePROLIFERIN C
ChEMBL IDCHEMBL1927842
Molecular FormulaC38H48O13
Molecular Weight712.79
Molecular Weight (Monoisotopic)712.3095
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsProliferin C
SmilesCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]2(OC(C)=O)C[C@@H]1C)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O
InchiInChI=1S/C38H48O13/c1-10-28(43)48-30-20(2)18-38(51-24(6)42)29(30)32(47-22(4)40)37-19-45-36(9,34(38)49-33(44)25-14-12-11-13-15-25)31(37)26(35(7,8)50-23(5)41)16-17-27(37)46-21(3)39/h11-17,20,26-27,29-32,34H,10,18-19H2,1-9H3/t20-,26-,27+,29+,30-,31-,32+,34+,36+,37+,38+/m0/s1
Inchi KeyLYOFMZYFNGVKDZ-HAHDCZOJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score2.34
Records Key['14']
Records Name['proliferin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure