Ligand thymoquinone

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Basic Ligand Information

Molecular Structure
Picture of thymoquinone (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C10H12O2
thymoquinone
KEQHJBNSCLWCAE-UHFFFAOYSA-N
Synonyms:
2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione, 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione, 2-methyl-5-isopropyl-1,4-benzoquinone

Roles as Enzyme Ligand

Inhibitor in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
isolated from Thymus vulgaris essential oil
-

3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.01
-
IC50 value

IC50 Value (3 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.14
-
pH 7.8, 37°C

References & Links

Links to other databases for thymoquinone

ChEBI
PubChem
ChEBI
PubChem