Drug General Information
Drug ID	D0G3TK
Former ID	DNC006613
Drug Name	KAEMPFEROL
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528750]
Structure		Download 2D MOL 3D MOL
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 528750	J 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 528213	J 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 528750	J 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 529300	Bioorg 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 529340	J 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 529519	J 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 530256	Bioorg 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 530357	Bioorg 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 531094	Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.

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