Bioactive Compound Details

BioIDbio340
NameILLIFUNONE C
ChEMBL IDCHEMBL559236
Molecular FormulaC14H20O4
Molecular Weight252.31
Molecular Weight (Monoisotopic)252.1362
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIllifunone C
SmilesC=CC[C@@H]1C[C@]2(O)C[C@H](C(C)(C)O)OC2=CC1=O
InchiInChI=1S/C14H20O4/c1-4-5-9-7-14(17)8-12(13(2,3)16)18-11(14)6-10(9)15/h4,6,9,12,16-17H,1,5,7-8H2,2-3H3/t9-,12-,14+/m1/s1
Inchi KeyWTNZYSLGDGRFTH-IUPBHXKESA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score2.89
Records Key['5']
Records Name['illifunone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure