Drug General Information
Drug ID	D0EW3L
Former ID	DNC007119
Drug Name	BUTEIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[1]
Structure		Download 2D MOL 3D MOL
Formula	C15H12O5
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
InChI	1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
InChIKey	AYMYWHCQALZEGT-ORCRQEGFSA-N
PubChem Compound ID	5281222
Target and Pathway
Target(s)	Angiotensin-converting enzyme	Target Info	Inhibitor	[1]
	Enoyl-ACP reductase	Target Info	Inhibitor	[2]
KEGG Pathway	Renin-angiotensin system
	Chagas disease (American trypanosomiasis)
	Hypertrophic cardiomyopathy (HCM)
PathWhiz Pathway	Angiotensin Metabolism
Reactome	Metabolism of Angiotensinogen to Angiotensins
WikiPathways	ACE Inhibitor Pathway
	Metabolism of Angiotensinogen to Angiotensins
References
REF 1	Bioorg Med Chem Lett. 2010 Mar 15;20(6):1990-3. Epub 2010 Jan 25.The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives.
REF 2	J Med Chem. 2007 Feb 22;50(4):765-75. Epub 2007 Jan 31.Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR).

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