Drug General Information
Drug ID	D01UYI
Former ID	DNC004715
Drug Name	CHRYSIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531094]
Structure		Download 2D MOL 3D MOL
Formula	C15H10O4
Canonical SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI	1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKey	RTIXKCRFFJGDFG-UHFFFAOYSA-N
PubChem Compound ID	5281607
Target and Pathway
Target(s)	Aldose reductase	Target Info	Inhibitor	[530856]
	Cytochrome P450 1B1	Target Info	Inhibitor	[531094]
	Cytochrome P450 19	Target Info	Inhibitor	[530867]
	3-oxoacyl-[acyl-carrier protein] reductase	Target Info	Inhibitor	[528213]
	Cell division protein kinase 6	Target Info	Inhibitor	[527422]
BioCyc Pathway	Methylglyoxal degradation III
	Acetone degradation I (to methylglyoxal)PWY66-401:Superpathway of tryptophan utilization
	Superpathway of melatonin degradation
	Melatonin degradation IPWY-7305:Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis II
	Estradiol biosynthesis I
KEGG Pathway	Pentose and glucuronate interconversions
	Fructose and mannose metabolism
	Galactose metabolism
	Glycerolipid metabolism
	Metabolic pathwayshsa00140:Steroid hormone biosynthesis
	Tryptophan metabolism
	Metabolism of xenobiotics by cytochrome P450
	Ovarian steroidogenesis
	Chemical carcinogenesis
	MicroRNAs in cancerhsa00140:Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesishsa04110:Cell cycle
	p53 signaling pathway
	PI3K-Akt signaling pathway
	Hepatitis B
	Measles
	Pathways in cancer
	Viral carcinogenesis
	MicroRNAs in cancer
	Pancreatic cancer
	Glioma
	Melanoma
	Chronic myeloid leukemia
	Small cell lung cancer
	Non-small cell lung cancer
NetPath Pathway	IL1 Signaling Pathway
	TGF_beta_Receptor Signaling PathwayNetPath_23:TSH Signaling Pathway
	IL4 Signaling Pathway
	TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database	p73 transcription factor network
	Coregulation of Androgen receptor activity
	C-MYB transcription factor network
	IL2 signaling events mediated by STAT5
	Regulation of retinoblastoma protein
PathWhiz Pathway	Fructose and Mannose Degradation
	Pyruvate Metabolism
	Pterine Biosynthesis
	Glycerolipid Metabolism
	Galactose MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome	Endogenous sterolsR-HSA-211976:Endogenous sterolsR-HSA-2559580:Oxidative Stress Induced Senescence
	Senescence-Associated Secretory Phenotype (SASP)
	Oncogene Induced Senescence
	Cyclin D associated events in G1
WikiPathways	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 compoundsWP702:Metapathway biotransformation
	Ovarian Infertility Genes
	Metabolism of steroid hormones and vitamin D
	FSH signaling pathway
	Integrated Breast Cancer Pathway
	Phase 1 - Functionalization of compoundsWP707:DNA Damage Response
	G1 to S cell cycle control
	Wnt Signaling Pathway Netpath
	Retinoblastoma (RB) in Cancer
	Signaling Pathways in Glioblastoma
	Metastatic brain tumor
	miR-targeted genes in leukocytes - TarBase
	Mitotic G1-G1/S phases
	Cell Cycle
	miRNAs involved in DNA damage response
	miRNA Regulation of DNA Damage Response
References
Ref 531094	Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 527422	J Med Chem. 2005 Feb 10;48(3):737-43.Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin.
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 530856	Bioorg Med Chem. 2010 May 1;18(9):3020-5. Epub 2010 Mar 27.Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin.
Ref 530867	Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
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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