Bioactive Compound Details

BioIDbio197228
NameFURFURAL
ChEMBL IDCHEMBL189362
Molecular FormulaC5H4O2
Molecular Weight96.08
Molecular Weight (Monoisotopic)96.0211
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsFuran-2-carbaldehyde
SmilesO=Cc1ccco1
InchiInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
Inchi KeyHYBBIBNJHNGZAN-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets17.0
Bioactivities32.0
Np Likeness Score-0.31
Records Key['54', 'FUF', '41, Furfural', 'SID17389873', '6', 'SID144204665', '24A', '2', 'SID144210490', 'furfural', 'Furfural', '7eo', 'furfural', '15eo', '24', 'SID144209389', '6a']
Records Name['furan-2-carbaldehyde', 'Furan-2-carbaldehyde', 'furan-2-carbaldehyde', 'SID17389873', 'furan-2-carbaldehyde', 'SID144204665', 'Furfural', 'Furfural', 'SID144210490', 'Furfural', 'Furfural', 'Furan-2-carbaldehyde', 'furfural', 'furan-2-carbaldehyde', 'furfural', 'SID144209389', 'Furan-2-carbaldehyde']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure