Drug Information

Drug General Information
Drug ID
D0A9RM
Former ID
DIB020763
Drug Name
prunetin
Synonyms
4',5-dihydroxy-7-methoxyisoflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541964]
Structure
Download
2D MOL
Formula
C16H12O5
InChI
InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey
KQMVAGISDHMXJJ-UHFFFAOYSA-N
PubChem Compound ID
5281804
PubChem Substance ID
12704, 6469357, 8145928, 8616790, 11341764, 11361947, 11363921, 11366483, 11369045, 11372363, 11375244, 11377207, 11487349, 11491217, 11493537, 11494841, 14799800, 24887970, 29204509, 39315412, 47405848, 47628451, 47702461, 48151092, 48422036, 49889635, 50122965, 52391342, 53790017, 57358397, 57390633, 57652916, 60914067, 85293087, 85789731, 91702039, 93165605, 103597581, 113855977, 118499765, 124597571, 126689126, 128420221, 135024846, 136964014, 137008118, 137570303, 162205020, 162223451, 163137539
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 541964(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6919).
Ref 529588J 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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