Ligand bisdemethoxycurcumin

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Basic Ligand Information

Molecular Structure
Picture of bisdemethoxycurcumin (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C19H16O4
bisdemethoxycurcumin
PREBVFJICNPEKM-YDWXAUTNSA-N
Synonyms:
(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione, bis-demethoxy curcumin, bisdemethoxy-curcumin

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
UDP-D-glucuronate + bisdemethoxy-curcumin = UDP + bisdemethoxy-curcumin phenolic beta-D-monoglucuronide
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2 4-coumaroyl-CoA + malonyl-CoA + H2O = 3 CoA + bisdemethoxycurcumin + 2 CO2
show the reaction diagram
-
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Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
UDP-D-glucuronate + bisdemethoxy-curcumin = UDP + bisdemethoxy-curcumin phenolic beta-D-monoglucuronide
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2 4-coumaroyl-CoA + malonyl-CoA + H2O = 3 CoA + bisdemethoxycurcumin + 2 CO2
show the reaction diagram
-
-

Inhibitor in Enzyme-catalyzed Reactions (8 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
i.e. 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, extracted from Curcuma longa roots, IC50: 0.0137 mM
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22.2% inhibition at 0.3 mM
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Enzyme Kinetic Parameters

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0103
-
-

IC50 Value (3 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.0137
-
i.e. 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, extracted from Curcuma longa roots, IC50: 0.0137 mM
0.0006
-
pH 7.4, 25°C, wild-type enzyme
0.3
-
at pH 7.4 and 37°C

References & Links

Links to other databases for bisdemethoxycurcumin

ChEBI
PubChem
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PubChem