Drug Information

Drug General Information
Drug ID
D0Z1XR
Former ID
DNC014527
Drug Name
2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531217]
Formula
C10H12O2
Canonical SMILES
CC(C)C1=CC=C(C(=O)C=C1)O
InChI
1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
InChIKey
WKEWHSLZDDZONF-UHFFFAOYSA-N
PubChem Compound ID
12649
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 531217Bioorg 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 531217Bioorg 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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