Drug Information

Drug General Information
Drug ID
D0NS1S
Former ID
DNC011126
Drug Name
ACACETIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531094]
Structure
Download
2D MOL

3D MOL
Formula
C16H12O5
Canonical SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
InChIKey
DANYIYRPLHHOCZ-UHFFFAOYSA-N
PubChem Compound ID
5280442
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info Inhibitor [525606]
Cytochrome P450 1B1 Target Info Inhibitor [531094]
Xanthine dehydrogenase/oxidase Target Info Inhibitor [551348]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-401:Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation IPWY-6353:Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides degradation
Adenosine nucleotides degradation
Retinoate biosynthesis II
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosishsa00140:Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Chemical carcinogenesis
MicroRNAs in cancerhsa00230:Purine metabolism
Caffeine metabolism
Drug metabolism - other enzymes
Peroxisome
NetPath Pathway IL4 Signaling PathwayNetPath_23:TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Adenine and hypoxanthine salvage pathway
Purine metabolism
PathWhiz Pathway Arachidonic Acid MetabolismPW000015:Caffeine Metabolism
Purine Metabolism
Reactome Endogenous sterolsR-HSA-74259:Purine catabolism
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP702:Metapathway biotransformation
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Sulindac Metabolic Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
miR-targeted genes in adipocytes - TarBase
Phase 1 - Functionalization of compoundsWP408:Oxidative Stress
Effects of Nitric Oxide
Metabolism of nucleotides
Selenium Micronutrient Network
References
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 525606J Nat Prod. 1999 Sep;62(9):1241-5.Novel and known constituents from Buddleja species and their activity against leukocyte eicosanoid generation.
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 551348Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.

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