Bioactive Compound Details

BioIDbio1029
NameASPIDINOL C
ChEMBL IDCHEMBL1641981
Molecular FormulaC13H18O4
Molecular Weight238.28
Molecular Weight (Monoisotopic)238.1205
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAspidinol C
SmilesCOc1cc(O)c(C(=O)CC(C)C)c(O)c1C
InchiInChI=1S/C13H18O4/c1-7(2)5-9(14)12-10(15)6-11(17-4)8(3)13(12)16/h6-7,15-16H,5H2,1-4H3
Inchi KeyLFTHKHYHTUZOJP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score1.33
Records Key['3, Aspidinol C']
Records Name[1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-3'-methylbutan-1'-one"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure