Botanical Name Plant's Common Name Plant Family   

   MMP-AC0054 : Alphitolic acid

 
Compound Name  :

Alphitolic acid
 
  Compound Class  : Terpenoids  
  Synonyms  : Alphitolic acid; 2alpha-Hydroxybetulinic acid; 19533-92-7; CHEMBL511805; CHEBI:67600;

 
  Compound Extracted from  : Alphitolic acid is extracted / reported from 2 Plant(s) of Melghat Flora as below


 
 
Molecular Formula  :

C30H48O4
 
  Molecular Weight  : 472.7  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 3  
  Hydrogen Bond Acceptor count  : 4  
  Rotational Bond count  : 2  
  TPSA  : 77.8  
  LogP Value  :

7.2

 
 
Lipinski Rule of Five  :

No
 
  Ghose Filter  : No  
  Veber Filter  : Yes  
  Muegge Filter  :

No

 
 
PubChem CID  :

12305768
 
  Drugbank ID  : -  
  Super Natural  : -  
  CTD  : -  
  HIT  : -  
  NCI-60 GI50 data  :

-

 
 
Reference(s)  :



 

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0054 LOX-IMVI Colon - - >20 然 - 14735446
MMP-AC0054 K-562 Haematopoietic and Lymphoid tissue - - >20 然 - 14735446
MMP-AC0054 A549 Lung - - >20 然 - 14735446
MMP-AC0054 PC-3 Prostate - - >20 然 - 14735446
MMP-AC0054 B16(F10) Skin - - >20 然 - 14735446
MMP-AC0054 SK-MEL-2 Skin - - >20 然 - 14735446

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0054 GLI1 GLI family zinc finger 1 2735 Pancreatic Cancer PANC-1 42 然 - - - Alphitolic acid was isolated from Zizyphus cambodiana as potent inhibitors. The IC50 value against GLI1-mediated transcriptional inhibitory activity was 42然. J.Synth.Org.Chem.,Jpn:1094-1104,2009