Bioactive Compound Details

BioIDbio1110
NameILLICIDIONE C
ChEMBL IDCHEMBL1784753
Molecular FormulaC29H40O8
Molecular Weight516.63
Molecular Weight (Monoisotopic)516.2723
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIllicidione C
SmilesC=CC[C@H]1C[C@]2(O)C[C@H](C(C)(C)O)OC2=C(CC2=C3O[C@@H](C(C)(C)O)C[C@@]3(O)C[C@H](CC=C)C2=O)C1=O
InchiInChI=1S/C29H40O8/c1-7-9-16-12-28(34)14-20(26(3,4)32)36-24(28)18(22(16)30)11-19-23(31)17(10-8-2)13-29(35)15-21(27(5,6)33)37-25(19)29/h7-8,16-17,20-21,32-35H,1-2,9-15H2,3-6H3/t16-,17-,20+,21+,28-,29-/m0/s1
Inchi KeyUPWQUNLKHQUUMH-ZKFBBMPRSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.47
Records Key['3']
Records Name['Illicidione C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure