Drug General Information
Drug ID	D08MTZ
Former ID	DNC009513
Drug Name	ISOFORMONENTIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529588]
Structure		Download 2D MOL 3D MOL
Formula	C16H12O4
Canonical SMILES	COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
InChI	1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChIKey	LNIQZRIHAMVRJA-UHFFFAOYSA-N
PubChem Compound ID	3764
Target and Pathway
Target(s)	Aldehyde dehydrogenase, mitochondrial	Target Info	Inhibitor	[529588]
KEGG Pathway	Glycolysis / Gluconeogenesis
	Pentose and glucuronate interconversions
	Ascorbate and aldarate metabolism
	Fatty acid degradation
	Valine, leucine and isoleucine degradation
	Lysine degradation
	Arginine and proline metabolism
	Histidine metabolism
	Tryptophan metabolism
	beta-Alanine metabolism
	Glycerolipid metabolism
	Pyruvate metabolism
	Metabolic pathways
	Biosynthesis of antibiotics
PathWhiz Pathway	Beta-Alanine Metabolism
	Ethanol Degradation
	Histidine Metabolism
	Valine, Leucine and Isoleucine Degradation
	Pyruvate Metabolism
	Oxidation of Branched Chain Fatty Acids
	Glycine and Serine Metabolism
	Tryptophan Metabolism
WikiPathways	Tryptophan metabolism
	Fatty Acid Omega Oxidation
	Phase 1 - Functionalization of compounds
	Neurotransmitter Clearance In The Synaptic Cleft
References
Ref 529588	J Med Chem. 2008 Aug 14;51(15):4482-7. Epub 2008 Jul 10.Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.
Ref 529588	J Med Chem. 2008 Aug 14;51(15):4482-7. Epub 2008 Jul 10.Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.

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