Drug Information

Drug General Information
Drug ID
D0G3TK
Former ID
DNC006613
Drug Name
KAEMPFEROL
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528750]
Formula
C15H10O6
Canonical SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKey
IYRMWMYZSQPJKC-UHFFFAOYSA-N
PubChem Compound ID
5280863
Target and Pathway
Target(s) Neuraminidase Target Info Inhibitor [530357]
mRNA of human 5-lipoxygenase Target Info Inhibitor [528750]
Arachidonate 15-lipoxygenase Target Info Inhibitor [528750]
Aldose reductase Target Info Inhibitor [529340]
Lactoylglutathione lyase Target Info Inhibitor [529300]
3-oxoacyl-[acyl-carrier protein] reductase Target Info Inhibitor [528213]
Cytochrome P450 1B1 Target Info Inhibitor [531094]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [529519]
mRNA of androgen receptor Target Info Inhibitor [530256]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-397:Resolvin D biosynthesis
Lipoxin biosynthesisPWY-5453:Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)PWY-5386:Methylglyoxal degradation IPWY66-401:Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation IPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Other glycan degradationhsa00590:Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosishsa00590:Arachidonic acid metabolism
Linoleic acid metabolism
Serotonergic synapsehsa00040:Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathwayshsa00620:Pyruvate metabolismhsa00140:Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Chemical carcinogenesis
MicroRNAs in cancerhsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesishsa04114:Oocyte meiosis
Pathways in cancer
Prostate cancer
NetPath Pathway IL4 Signaling PathwayNetPath_16:IL4 Signaling PathwayNetPath_13:IL1 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_23:TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
AndrogenReceptor Signaling Pathway
FSH Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathwayP02727:Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database IL4-mediated signaling eventssmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Coregulation of Androgen receptor activity
Regulation of Androgen receptor activity
Nongenotropic Androgen signaling
Regulation of nuclear beta catenin signaling and target gene transcription
FOXA1 transcription factor network
Notch-mediated HES/HEY network
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid MetabolismPW000025:Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose MetabolismPW000034:Pyruvaldehyde Degradation
Pyruvate MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome Pyruvate metabolismR-HSA-211976:Endogenous sterolsR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)R-HSA-383280:Nuclear Receptor transcription pathway
Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3
WikiPathways Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP2650:Arachidonic acid metabolism
Eicosanoid SynthesisWP702:Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin DWP702: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 compoundsWP496:Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate CancerWP706:SIDS Susceptibility Pathways
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Nuclear Receptors
Androgen receptor signaling pathway
References
Ref 528750J Nat Prod. 2007 May;70(5):859-62. Epub 2007 Mar 23.Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti.
Ref 528213J Med Chem. 2006 Jun 1;49(11):3345-53.Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.
Ref 528750J Nat Prod. 2007 May;70(5):859-62. Epub 2007 Mar 23.Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti.
Ref 529300Bioorg Med Chem. 2008 Apr 1;16(7):3969-75. Epub 2008 Jan 24.Structure-activity relationship of human GLO I inhibitory natural flavonoids and their growth inhibitory effects.
Ref 529340J Nat Prod. 2008 Apr;71(4):713-5. Epub 2008 Feb 26.Erigeroflavanone, a flavanone derivative from the flowers of Erigeron annuus with protein glycation and aldose reductase inhibitory activity.
Ref 529519J Med Chem. 2008 Jul 24;51(14):4188-99. Epub 2008 Jun 6.Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.
Ref 530256Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10. Epub 2009 Jun 23.Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay.
Ref 530357Bioorg Med Chem. 2009 Oct 1;17(19):6816-23. Epub 2009 Aug 21.Neuraminidase inhibitory activities of flavonols isolated from Rhodiola rosea roots and their in vitro anti-influenza viral activities.
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.