Bioactive Compound Details

BioIDbio198239
NameCresoquinone
ChEMBL IDCHEMBL358225
Molecular FormulaC7H6O2
Molecular Weight122.12
Molecular Weight (Monoisotopic)122.0368
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Methyl-[1,4]Benzoquinone
SmilesCC1=CC(=O)C=CC1=O
InchiInChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
Inchi KeyVTWDKFNVVLAELH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities29.0
Np Likeness Score1.71
Records Key['3, cresoquinone', '1', '9', '11', '12', '2', '20', '5']
Records Name['methyl-1,4-benzoquinone', '2-Methyl-[1,4]benzoquinone', '2-methyl-1,4-benzoquinone', '2-methyl-1,4-benzoquinone', '2-methylcyclohexa-2,5-diene-1,4-dione', '2-Methyl-[1,4]benzoquinone', '2-Methylcyclohexa-2,5-diene-1,4-dione', '2-methyl-1,4-benzoquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure