Botanical Name Plant's Common Name Plant Family   

   MMP-AC0041 : Catechin

 
Compound Name  :

Catechin
 
  Compound Class  : Flavonoid  
  Synonyms  : (+)-catechin; Cianidanol; CATECHIN; 154-23-4; Catechuic acid; Cyanidanol; Catechinic acid; D-Catechin; Catergen; Cianidol; (+)-Cyanidanol; (+)-Catechol; (+)-Cyanidan-3-ol; Biocatechin; (+)-Catechin Hydrate; D-(+)-Catechin; Catechin (flavan); Catechol (flavan); Dexcyanidanol; D-Catechol; (2R,3S)-Catechin; 3-Cyanidanol, (+)-;

 
  Compound Extracted from  : Catechin is extracted / reported from 29 Plant(s) of Melghat Flora as below


 
 
Molecular Formula  :

C15H14O6
 
  Molecular Weight  : 290.271  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 5  
  Hydrogen Bond Acceptor count  : 6  
  Rotational Bond count  : 1  
  TPSA  : 110  
  LogP Value  :

0.4

 
 
Lipinski Rule of Five  :

Yes
 
  Ghose Filter  : Yes  
  Veber Filter  : Yes  
  Muegge Filter  :

Yes

 
 
PubChem CID  :

9064
 
  Drugbank ID  : DB14086  
  Super Natural  : 000154234  
  CTD  : D002392  
  HIT  : C0436  
  NCI-60 GI50 data  :

154-23-4

 
 
Reference(s)  :

https://www.ncbi.nlm.nih.gov/pubmed/29933105


 

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0041 HL-60 Haematopoietic and Lymphoid tissue >10,000 ng/ml - - - 8084211
MMP-AC0041 Molt-4 Haematopoietic and Lymphoid tissue >10,000 ng/ml - - - 8084211

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0041 COX-1 cytochrome c oxidase subunit I 4512 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 5.2 µM - - - It potently inhibits cyclooxygenase 1 (Cox-1) activity and it is an anti-inflammatory mechanism. C. GerhäuserA.P. AltK. KlimoJ. KnauftN. FrankH. Becker, "Isolation and potential cancer chemopreventive activities of phenolic compounds of beer", Phytochemistry Reviews (2002), 1(3): 369–377
MMP-AC0041 COX-1 cytochrome c oxidase subunit I 4512 - - 1.4 µM - - - Testing of compound was performed in-vivo. Compound is shown have anticancer activity. 11962253
MMP-AC0041 COX-2 cytochrome c oxidase subunit II 4513 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 - - - - At a test concentration of 100 µM, xanthoumol inhibited Cox-2 activity 70%. C. GerhäuserA.P. AltK. KlimoJ. KnauftN. FrankH. Becker, "Isolation and potential cancer chemopreventive activities of phenolic compounds of beer", Phytochemistry Reviews (2002), 1(3): 369–377
MMP-AC0041 COX-2 cytochrome c oxidase subunit II 4513 - - - - - - Testing of compound was performed in-vivo. Compound is shown have anticancer activity 11962253
MMP-AC0041 NOS2 nitric oxide synthase 2, inducible 4843 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 >50 µM - - - Nitric oxide (NO) synthase (iNOS) and consequently, enhance the generation of NO. Generally, NO is an important signaling molecule, long-term elevated levels of NO, however, have been linked to early steps in carcinogenesis.It cause inhibition of lipopolysaccharide (LPS)-mediated induction of inducible nitric oxide synthase , which is an anti-inflammatory mechanis. C. GerhäuserA.P. AltK. KlimoJ. KnauftN. FrankH. Becker, "Isolation and potential cancer chemopreventive activities of phenolic compounds of beer", Phytochemistry Reviews (2002), 1(3): 369–377
MMP-AC0041 NQO1 NAD(P)H dehydrogenase, quinone 1 1728 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 >50 µM - - - It induces the QR activity.Induction of phases 2 enzymes contributes to chemopreventive activity. QR is not catalyzing a conjugation reaction, but it is induced co-ordinately with other phase 2 enzymes and contributes to detoxification by reduction of reactive quinones to less reactive hydroquinones. C. GerhäuserA.P. AltK. KlimoJ. KnauftN. FrankH. Becker, "Isolation and potential cancer chemopreventive activities of phenolic compounds of beer", Phytochemistry Reviews (2002), 1(3): 369–377