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Botanical Name Plant's Common Name Plant Family   

   MMP-AC0007 : Pelargonidin

 
Compound Name  :
Pelargonidin		  
  Compound Class  : Flavonoid  
  Synonyms  : Pelargonidin; CHEBI:25863; 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol; 7690-51-9; CHEMBL591036; 3,4',5,7-Tetrahydroxyflavylium; AC1L9A0P; SCHEMBL20592; 134-04-3 (chloride); CHEMBL1197905; XVFMGWDSJLBXDZ-UHFFFAOYSA-O; ZINC391840; BDBM50121994; BDBM50326998; LMPK12010003; ZB012073; C05904;

  
  Compound Extracted from  : Pelargonidin is extracted / reported from 6 Plant(s) of Melghat Flora as below


 
 
Molecular Formula  :
C15H11O5+		  
  Molecular Weight  : 271.248  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 4  
  Hydrogen Bond Acceptor count  : 4  
  Rotational Bond count  : 1  
  TPSA  : 81.9  
  LogP Value  :

 3.33

  
 
Lipinski Rule of Five  :
Yes		  
  Ghose Filter  : Yes  
  Veber Filter  : Yes  
  Muegge Filter  :

 Yes

  
 
PubChem CID  :
440832		  
  Drugbank ID  : -  
  Super Natural  : 000134043  
  CTD  : C066957  
  HIT  : -  
  NCI-60 GI50 data  :

 -

  
 
Reference(s)  :
https://www.ncbi.nlm.nih.gov/pubmed/22493522

  

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0007 HL-60 Haematopoietic and Lymphoid tissue 7.8 µM - - - 18460339

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0007 COX-1 cytochrome c oxidase subunit I 4512 Breast adenocarcinoma MCF-7 - - - - Pelargonidin, which have 3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B rings, showed 29.5% COX-1 inhibitory activities. 12925310
MMP-AC0007 COX-1 cytochrome c oxidase subunit I 4512 CNS Cancer SF-268 - - - - Pelargonidin, which have 3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B rings, showed 29.5% COX-1 inhibitory activities. 12925310
MMP-AC0007 COX-1 cytochrome c oxidase subunit I 4512 Colon cancer HCT-116 - - - - Pelargonidin, which have 3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B rings, showed 29.5% COX-1 inhibitory activities. 12925310
MMP-AC0007 COX-1 cytochrome c oxidase subunit I 4512 Non-small cell lung cancer NCl-H460 - - - - Pelargonidin, which have 3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B rings, showed 29.5% COX-1 inhibitory activities. 12925310
MMP-AC0007 COX-2 cytochrome c oxidase subunit II 4513 Breast adenocarcinoma MCF-7 - - - - Pelargonidin, which have3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B ring, showed 40.2% COX-2 inhibitory activities. 12925310
MMP-AC0007 COX-2 cytochrome c oxidase subunit II 4513 CNS Cancer SF-268 - - - - Pelargonidin, which have3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B ring, showed 40.2% COX-2 inhibitory activities. 12925310
MMP-AC0007 COX-2 cytochrome c oxidase subunit II 4513 Colon cancer HCT-116 - - - - Pelargonidin, which have3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B ring, showed 40.2% COX-2 inhibitory activities. 12925310
MMP-AC0007 COX-2 cytochrome c oxidase subunit II 4513 Non-small cell lung cancer NCl-H460 - - - - Pelargonidin, which have3',4',5'-trihydroxyl and 4'-hydroxyl groups in their B ring, showed 40.2% COX-2 inhibitory activities. 12925310