Drug Information

Drug General Information
Drug ID
D0A1CM
Former ID
DNC006412
Drug Name
ELLAGIC ACID
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526128]
Structure
Download
2D MOL

3D MOL
Formula
C14H6O8
Canonical SMILES
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
InChI
1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChIKey
AFSDNFLWKVMVRB-UHFFFAOYSA-N
CAS Number
CAS 476-66-4
PubChem Compound ID
5281855
Target and Pathway
Target(s) Carbonic anhydrase XII Target Info Inhibitor [530751]
Heat shock protein 70 Target Info Inhibitor [531262]
Carbonic anhydrase II Target Info Inhibitor [530751]
Carbonic anhydrase XIV Target Info Inhibitor [530751]
Glycogen synthase kinase-3 beta Target Info Inhibitor [528129]
Mothers against decapentaplegic homolog 3 Target Info Inhibitor [531262]
Carbonic anhydrase VI Target Info Inhibitor [530751]
Tyrosine-protein kinase SYK Target Info Inhibitor [528129]
Carbonic anhydrase IX Target Info Inhibitor [530751]
Carbonic anhydrase I Target Info Inhibitor [530751]
Squalene monooxygenase Target Info Inhibitor [526128]
Carbonic anhydrase Target Info Inhibitor [530751]
Carbonic anhydrase IV Target Info Inhibitor [530751]
Casein kinase II, alpha chain Target Info Inhibitor [530101]
KEGG Pathway Nitrogen metabolismhsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolismhsa04012:ErbB signaling pathway
Chemokine signaling pathway
Cell cycle
PI3K-Akt signaling pathway
Wnt signaling pathway
Hedgehog signaling pathway
Axon guidance
Hippo signaling pathway
Focal adhesion
Signaling pathways regulating pluripotency of stem cells
T cell receptor signaling pathway
B cell receptor signaling pathway
Neurotrophin signaling pathway
Dopaminergic synapse
Insulin signaling pathway
Melanogenesis
Prolactin signaling pathway
Thyroid hormone signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Hepatitis C
Measles
Influenza A
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Colorectal cancer
Endometrial cancer
Prostate cancer
Basal cell carcinomahsa00910:Nitrogen metabolismhsa04064:NF-kappa B signaling pathway
Osteoclast differentiation
Platelet activation
Natural killer cell mediated cytotoxicity
Fc epsilon RI signaling pathway
Fc gamma R-mediated phagocytosis
Tuberculosis
Viral carcinogenesishsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismsce00100:Steroid biosynthesis
Sesquiterpenoid and triterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibioticshsa00910:Nitrogen metabolism
Proximal tubule bicarbonate reclamationhsa03008:Ribosome biogenesis in eukaryotes
NF-kappa B signaling pathway
Adherens junction
Tight junction
Herpes simplex infection
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_16:IL4 Signaling Pathway
EGFR1 Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Angiogenesis
Cadherin signaling pathway
Hedgehog signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Insulin/IGF pathway-protein kinase B signaling cascade
Interleukin signaling pathway
PDGF signaling pathway
PI3 kinase pathway
Wnt signaling pathway
Ras Pathway
CCKR signaling map STP00010:B cell activation
Pathway Interaction Database LPA receptor mediated events
Degradation of beta catenin
Reelin signaling pathway
Presenilin action in Notch and Wnt signaling
Integrin-linked kinase signaling
CDC42 signaling events
LKB1 signaling events
Canonical Wnt signaling pathway
Role of Calcineurin-dependent NFAT signaling in lymphocytes
Glucocorticoid receptor regulatory network
C-MYC pathway
Regulation of Androgen receptor activity
BMP receptor signaling
Hedgehog signaling events mediated by Gli proteins
Signaling events mediated by Stem cell factor receptor (c-Kit)
Validated transcriptional targets of deltaNp63 isoforms
Aurora A signaling
Insulin-mediated glucose transport
Class I PI3K signaling events mediated by Akt
p53 pathway
Trk receptor signaling mediated by PI3K and PLC-gammafcer1pathway:Fc-epsilon receptor I signaling in mast cells
BCR signaling pathway
GMCSF-mediated signaling events
Atypical NF-kappaB pathway
Osteopontin-mediated events
FAS (CD95) signaling pathway
Thromboxane A2 receptor signaling
IL2-mediated signaling events
Class I PI3K signaling events
Alpha-synuclein signalinghif1_tfpathway:HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor networkbcr_5pathway:BCR signaling pathway
DNA-PK pathway in nonhomologous end joining
E-cadherin signaling in the nascent adherens junction
Lissencephaly gene (LIS1) in neuronal migration and development
PDGFR-alpha signaling pathway
Signaling mediated by p38-alpha and p38-beta
Alpha-synuclein signaling
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast CellsPW000565:Gastric Acid ProductionPW000050:Steroid Biosynthesis
Reactome Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxideR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-195253:Degradation of beta-catenin by the destruction complex
AKT phosphorylates targets in the cytosol
Regulation of HSF1-mediated heat shock response
CRMPs in Sema3A signaling
Disassembly of the destruction complex and recruitment of AXIN to the membrane
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
T41 mutants of beta-catenin aren't phosphorylated
Degradation of GLI2 by the proteasome
Constitutive Signaling by AKT1 E17K in CancerR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-114604:GPVI-mediated activation cascade
FCGR activation
Regulation of actin dynamics for phagocytic cup formation
Role of phospholipids in phagocytosis
DAP12 signaling
Fc epsilon receptor (FCERI) signaling
Role of LAT2/NTAL/LAB on calcium mobilization
FCERI mediated MAPK activation
FCERI mediated Ca+2 mobilization
Integrin alphaIIb beta3 signaling
Interleukin-2 signaling
CLEC7A (Dectin-1) signaling
Dectin-2 family
Regulation of signaling by CBL
Antigen activates B Cell Receptor (BCR) leading to generation of second messengersR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxideR-HSA-191273:Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)R-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxideR-HSA-2514853:Condensation of Prometaphase Chromosomes
WikiPathways Reversible Hydration of Carbon Dioxide
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBaseWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon DioxideWP710:DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Notch Signaling Pathway
Glycogen Metabolism
Insulin Signaling
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
IL-6 signaling pathway
Wnt Signaling Pathway Netpath
Copper homeostasis
Focal Adhesion
Hair Follicle Development: Induction (Part 1 of 3)
Cardiac Hypertrophic Response
Degradation of beta-catenin by the destruction complex
T-Cell Receptor and Co-stimulatory Signaling
Cardiac Progenitor Differentiation
BDNF signaling pathway
Corticotropin-releasing hormone
B Cell Receptor Signaling Pathway
IL17 signaling pathway
Neural Crest Differentiation
Alzheimers Disease
IL-7 Signaling Pathway
Regulation of Microtubule Cytoskeleton
TWEAK Signaling Pathway
Leptin signaling pathway
Semaphorin interactions
Cell Cycle
MicroRNAs in cardiomyocyte hypertrophy
Androgen receptor signaling pathway
IL-5 Signaling PathwayWP2770:Reversible Hydration of Carbon DioxideWP49:IL-2 Signaling Pathway
IL-3 Signaling Pathway
Fc epsilon receptor (FCERI) signaling
Signaling by the B Cell Receptor (BCR)
Interleukin-2 signaling
Fcgamma receptor (FCGR) dependent phagocytosis
DAP12 interactions
RANKL/RANK Signaling Pathway
Integrin alphaIIb beta3 signaling
GPVI-mediated activation cascade
Regulation of toll-like receptor signaling pathway
IL-5 Signaling PathwayWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2652:Mitotic Prometaphase
TNF alpha Signaling Pathway
L1CAM interactions
References
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Ref 528129J Med Chem. 2006 Apr 20;49(8):2363-6.Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application.
Ref 530101Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. Epub 2009 Apr 22.Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.
Ref 530751Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. Epub 2010 Feb 6.Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.
Ref 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

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