Drug Information

Drug General Information
Drug ID
D01UYI
Former ID
DNC004715
Drug Name
CHRYSIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531094]
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 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 527422J 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 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 530856Bioorg 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 530867Bioorg 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 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.