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Botanical Name Plant's Common Name Plant Family   

   MMP-AC0172 : Auraptene

 
Compound Name  :
Auraptene		  
  Compound Class  : Benzopyranoids  
  Synonyms  : Auraptene; Aurapten; 495-02-3; 7-Geranyloxycoumarin; F79I1ZEL2E;

  
  Compound Extracted from  : Auraptene is extracted / reported from 1 Plant(s) of Melghat Flora as below


 
 
Molecular Formula  :
C19H22O3		  
  Molecular Weight  : 298.4  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 0  
  Hydrogen Bond Acceptor count  : 3  
  Rotational Bond count  : 6  
  TPSA  : 35.5  
  LogP Value  :

 5.3

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

 Yes

  
 
PubChem CID  :
1550607		  
  Drugbank ID  : -  
  Super Natural  : -  
  CTD  : C105832  
  HIT  : -  
  NCI-60 GI50 data  :

 -

  
 
Reference(s)  :
https://pubchem.ncbi.nlm.nih.gov/compound/1550607

  

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0172 Jurkat E6.1 Haematopoietic and Lymphoid tissue 16.5 µg/ml - - - 17301064

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0172 CCND1 cyclin D1 595 Breast adenocarcinoma MCF-7 - - - - MCF-7 human breast carcinoma cells in culture showed that 2 h pretreatment of auraptene (10 µM) resulted in nearly a total loss of IGF-1 induced cyclin D1 expression at 8 h. 19640303
MMP-AC0172 COX-2 cytochrome c oxidase subunit II 4513 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 - - - - Auraptene showed a concentration dependent supression of COX-2 expression (IR = 44-86% at 5-20µM) 11023542
MMP-AC0172 PTGER3 prostaglandin E receptor 3 (subtype EP3) 5733 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 - - - - Auraptene showed a concentration dependent supression of PGE2 expression (IR = 20-73% at 5-20µM) 11023542
MMP-AC0172 TNF tumor necrosis factor 7124 Murine monocyte/macrophage line derived from ascitic tumour induced with Abelson leukaemai virus RAW264.7 - - - - Auraptene at an concentration of 10 and 20 µM supressed TNF-alpha release in a concentration dependent manner by 24.9 (P<0.02) and 83.9% (P<0.001), respectively. 11023542