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Botanical Name Plant's Common Name Plant Family   

   MMP-AC0103 : Beta-ionone

 
Compound Name  :
Beta-ionone		  
  Compound Class  : Terpenoids  
  Synonyms  : BETA-IONONE; 79-77-6; trans-beta-Ionone; (E)-beta-Ionone; 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one;

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


 
 
Molecular Formula  :
C13H20O		  
  Molecular Weight  : 192.3  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 0  
  Hydrogen Bond Acceptor count  : 1  
  Rotational Bond count  : 2  
  TPSA  : 17.1  
  LogP Value  :

 2.9

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

 No

  
 
PubChem CID  :
638014		  
  Drugbank ID  : -  
  Super Natural  : -  
  CTD  : C008157  
  HIT  : -  
  NCI-60 GI50 data  :

 -

  
 
Reference(s)  :
https://www.ncbi.nlm.nih.gov/pubmed/23100158

  

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0103 B16 Skin 140±23 µMol/L - - - 9164984
MMP-AC0103 B16(F10) Skin 140±23 µMol/L - - - 11741740

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0103 BAX BCL2-associated X protein 581 Human osteosarcoma U2os - - - - Our immunocytochemistry findings for Bax and Bcl2 revealed that b-ionone increased the expression of Bax but decreased the expression of Bcl2. The Bax protein was relatively concentrated in the mitochondria in U2os cells after 200 lM b-ionone treatment for 48. 19757179
MMP-AC0103 BCL2 B-cell CLL/lymphoma 2 596 Human osteosarcoma U2os - - - - Our immunocytochemistry findings for Bax and Bcl2 revealed that b-ionone increased the expression of Bax but decreased the expression of Bcl. 19757179
MMP-AC0103 CASP3 caspase 3, apoptosis-related cysteine peptidase 836 Human osteosarcoma U2os - - - - The Caspase-3 cellular activity showed a significant increase in cells treated with 200 lM b-ionone for 48 h compared with cells treated with b-ionone for 12 or 24 h. Because the activity of Caspase-3 was significantly increased in U2os cells treated with 200 lM b-ionone for 48 h, this treatment was considered to represent the optimal induction condition of apoptosis. 19757179
MMP-AC0103 CCND1 cyclin D1 595 Breast adenocarcinoma MCF-7 - - - - A significant, concentration-dependent decrease in expression of the early G1 phase cyclin D1 was observed in MCF-7 cells treated with beta-ionone. 15450939
MMP-AC0103 CCNE1 cyclin E1 898 Breast adenocarcinoma MCF-7 - - - - Protein levels of cyclin E in cells treated with 400 or 500 mM b-ionone. 15450939
MMP-AC0103 CDK2 cyclin-dependent kinase 2 1017 Breast adenocarcinoma MCF-7 - - - - Protein levels of CDK 2, decreased significantly in cells treated with 400 or 500 mM b-ionone. 15450939
MMP-AC0103 CycA Cyclin A 39340 Breast adenocarcinoma MCF-7 - - - - Expression of cyclin A, the S phase CDK 2 activator, decreased significantly following treatment of cells with beta-ionone. 15450939
MMP-AC0103 CYCS cytochrome c 54205 Human osteosarcoma U2os - - - - Cytochrome c is released from the mitochondria in response to b-ionone via Bcl2 family-regulated mechanisms.The release of cytochrome c is a characteristic of cellular apoptosis. In U2os cells treated with b-ionone for 48 h, the cytochrome c protein was relatively diffusely expressed in the cytosol. 19757179
MMP-AC0103 TP53 tumor protein p53 7157 Human osteosarcoma U2os - - - - The immunocytochemical results of p53 showed that the expression of p53 was increased by b-ionone in dose-dependent manner over 48 h. Besides, p53 protein was detected in U2os cells that incubated with 200 lM b-ionone for 12, 24,36, and 48 h, the expression of p53 was increased by b-ionone in a time-dependent manner. 19757179