Drug General Information
Drug ID	D0Z1WQ
Former ID	DNC005436
Drug Name	3,5-Di-tert-butyl-[1,2]benzoquinone
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527510]
Structure		Download 2D MOL 3D MOL
Formula	C14H20O2
Canonical SMILES	CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
InChI	1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChIKey	NOUZOVBGCDDMSX-UHFFFAOYSA-N
PubChem Compound ID	76915
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[527510]
KEGG Pathway	Drug metabolism - other enzymes
	Metabolic pathways
Pathway Interaction Database	E2F transcription factor network
WikiPathways	NRF2 pathway
	Nuclear Receptors Meta-Pathway
	Heroin metabolism
	Irinotecan Pathway
	Fluoropyrimidine Activity
	Phase I biotransformations, non P450
References
Ref 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Ref 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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