Bioactive Compound Details

BioIDbio1908
NameOCTANOIC ACID
ChEMBL IDCHEMBL324846
Molecular FormulaC8H16O2
Molecular Weight144.21
Molecular Weight (Monoisotopic)144.115
TypeSmall molecule
Max PhasePhase 2
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsACIDE OCTANOIQUE|ACIDO OCTANOICO|CAPRYLIC ACID|EDENOR C 8-98-100|FEMA NO. 2799|KORTACID-0899|N-OCTANOIC ACID|NSC-5024|OCTANOIC ACID|PRIFAC-2901
SmilesCCCCCCCC(=O)O
InchiInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Inchi KeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
Molecular SpeciesACID
Targets35.0
Bioactivities70.0
Np Likeness Score0.69
Records Key['caprylic acid', '2', 'Caprylic Acid', 'Octanoate', 'SID85272331', 'octanoate', 'octanoic acid', '10', 'Octanoate', 'SID144210663', 'SID144208477', 'SID144204596', 'SID17388833', 'Octanoate', 'Caprylic_acid', 'Caprylic_acid', 'OCTANOIC ACID', 'alkanoicacid-C8', '18', 'SID17389655', '16', 'COVC-1214899233', 'OCTANOIC ACID']
Records Name['caprylic acid', 'Octanoic acid', 'Caprylic Acid', 'Octanoate', 'SID85272331', 'Octanoic acid anion', 'octanoic acid', 'octanoic acid', 'Octanoate', 'SID144210663', 'SID144208477', 'SID144204596', 'SID17388833', 'Octanoate', 'Caprylic_acid', 'Caprylic_acid', 'OCTANOIC ACID', 'Octanoicacid', 'Octanoic acid', 'SID17389655', 'Octanoic acid', 'OCTANOIC ACID', 'OCTANOIC ACID']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure