Drug General Information
Drug ID
D01WGJ
Former ID
DNC002527
Drug Name
Daidzin
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546409]
Structure
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2D MOL

3D MOL

Formula
C21H20O9
Canonical SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)<br />O)O)O
InChI
1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2
InChIKey
KYQZWONCHDNPDP-UHFFFAOYSA-N
CAS Number
CAS 552-66-9
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Aldehyde dehydrogenase, mitochondrial Target Info Inhibitor [551393]
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 546409Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007965)
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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