Botanical Name Plant's Common Name Plant Family   

   MMP-AC0077 : Xanthatin

 
Compound Name  :

Xanthatin
 
  Compound Class  : Terpenoids  
  Synonyms  : Xanthatin; 26791-73-1; UNII-298X1N12LS; 8-epi-Xanthatin; CHEBI:10058;

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


 
 
Molecular Formula  :

C15H18O3
 
  Molecular Weight  : 246.3  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 0  
  Hydrogen Bond Acceptor count  : 3  
  Rotational Bond count  : 2  
  TPSA  : 43.4  
  LogP Value  :

2.1

 
 
Lipinski Rule of Five  :

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

Yes

 
 
PubChem CID  :

5281511
 
  Drugbank ID  : -  
  Super Natural  : -  
  CTD  : C022186  
  HIT  : -  
  NCI-60 GI50 data  :

-

 
 
Reference(s)  :

https://www.ncbi.nlm.nih.gov/pubmed/29074359


 

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0077 HL-60 Hematopoietic and Lymphoid tissue 7.09 µg/ml - - - 21953905

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0077 ALOX5 arachidonate 5-lipoxygenase 240 Pancreatic Cancer PACA-2 61.95 µg/m - - - Xanthatin inhibited 5-lipoxygenase activity 21953905
MMP-AC0077 CASP3 caspase 3, apoptosis-related cysteine peptidase 836 Pancreatic Cancer PACA-2 - - - - Xanthatin inhibited 5-lipoxygenase activity 21953905
MMP-AC0077 CASP7 caspase 7, apoptosis-related cysteine peptidase 840 Pancreatic Cancer PACA-2 - - - - Xanthatin induced a strong caspase 7 activity. 21953905
MMP-AC0077 PTGER3 prostaglandin E receptor 3 (subtype EP3) 5733 Pancreatic Cancer PACA-2 - - - - the inhibition of PGE2 synthesis by xanthatin was assessed in MIA PaCa-2 21953905