Drug Information

Drug General Information
Drug ID
D0V7AA
Former ID
DNC011168
Drug Name
CATECHIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531068]
Structure
Download
2D MOL

3D MOL
Formula
C15H14O6
Canonical SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
InChIKey
PFTAWBLQPZVEMU-UHFFFAOYSA-N
PubChem Compound ID
9064
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [531068]
Carbonic anhydrase XII Target Info Inhibitor [531068]
Carbonic anhydrase VI Target Info Inhibitor [531068]
Carbonic anhydrase IX Target Info Inhibitor [531068]
Carbonic anhydrase XIV Target Info Inhibitor [531068]
Carbonic anhydrase I Target Info Inhibitor [531068]
Prostaglandin G/H synthase 1 Target Info Inhibitor [527310]
Carbonic anhydrase Target Info Inhibitor [531068]
Carbonic anhydrase IV Target Info Inhibitor [531068]
BioCyc Pathway C20 prostanoid biosynthesis
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismhsa00590:Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapsehsa00910:Nitrogen metabolism
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Gastric Acid ProductionPW000044:Arachidonic Acid Metabolism
Reactome 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-1475029:Reversible hydration of carbon dioxideR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxideR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxide
WikiPathways 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 Dioxide
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBaseWP2770:Reversible Hydration of Carbon DioxideWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770:Reversible Hydration of Carbon DioxideWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP98:Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 531068Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3. Epub 2010 Jul 13.Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.
Ref 527310J Nat Prod. 2004 Nov;67(11):1777-82.Mechanism-based inactivation of COX-1 by red wine m-hydroquinones: a structure-activity relationship study.
Ref 531068Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3. Epub 2010 Jul 13.Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.

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