Drug General Information
Drug ID	D0A6ZK
Former ID	DNC014525
Drug Name	2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531217]
Structure		Download 2D MOL 3D MOL
Formula	C10H12O2
Canonical SMILES	CC(C)C1=C(C(=O)C=CC=C1)O
InChI	1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
InChIKey	TUFYVOCKVJOUIR-UHFFFAOYSA-N
PubChem Compound ID	80297
Target and Pathway
Target(s)	Tyrosine oxidase	Target Info	Inhibitor	[531217]
BioCyc Pathway	(S)-reticuline biosynthesis
	Eumelanin biosynthesis
	L-dopachrome biosynthesis
KEGG Pathway	Tyrosine metabolism
	Riboflavin metabolism
	Metabolic pathways
	Melanogenesis
PathWhiz Pathway	Riboflavin Metabolism
	Tyrosine Metabolism
WikiPathways	Dopamine metabolism
References
Ref 531217	Bioorg Med Chem. 2010 Nov 15;18(22):8112-8. Epub 2010 Oct 12.Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins.
Ref 531217	Bioorg Med Chem. 2010 Nov 15;18(22):8112-8. Epub 2010 Oct 12.Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins.

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