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Botanical Name Plant's Common Name Plant Family   

   MMP-AC0084 : Beta-caryophyllene oxide

 
Compound Name  :
Beta-caryophyllene oxide		  
  Compound Class  : Terpenoids  
  Synonyms  : Caryophylene oxide; (-)-Epoxydihydrocaryophyllene; 13877-94-6; beta-Caryophyllene oxide; Caryophyllene alpha-oxide;

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


 
 
Molecular Formula  :
C15H24O		  
  Molecular Weight  : 220.35  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 0  
  Hydrogen Bond Acceptor count  : 1  
  Rotational Bond count  : 0  
  TPSA  : 12.5  
  LogP Value  :

 3.6

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

 Yes

  
 
PubChem CID  :
14350		  
  Drugbank ID  : -  
  Super Natural  : -  
  CTD  : C515179  
  HIT  : -  
  NCI-60 GI50 data  :

 -

  
 
Reference(s)  :
https://www.ncbi.nlm.nih.gov/pubmed/11413487

  

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0084 MCF-7 Breast - - - >250 然 12802719
MMP-AC0084 CT-26 Colon - - - >250 然 12802719
MMP-AC0084 DLD-1 Colon - - - >250 然 12802719
MMP-AC0084 L929 Connective tissue - - - >250 然 12802719
MMP-AC0084 HL-60 Haematopoietic and Lymphoid tissue 37.88 痢/ml - - - 20359874
MMP-AC0084 A549 Lung - - - >250 然 12802719
MMP-AC0084 PC-3 Prostate - - - >250 然 12802719
MMP-AC0084 M-4-BEU Skin - - - >250 然 12802719

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0084 AKT1 v-akt murine thymoma viral oncogene homolog 1 207 Breast adenocarcinoma MCF-7 - - - - constitutive activation of AKT was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 AKT1 v-akt murine thymoma viral oncogene homolog 1 207 Prostate Cancer PC-3 - - - - constitutive activation of AKT was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 CASP3 caspase 3, apoptosis-related cysteine peptidase 836 Prostate Cancer PC-3 - - - - beta-caryophyllene oxideclearly induced the cleavage of procaspase-3 as observed by the disappearance of the procaspase-3 band and appearance of its cleaved forms. 21924548
MMP-AC0084 CCND1 cyclin D1 595 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide suppressed the expression of anti-apoptotic gene products in a concentration-dependent manner. beta-caryophyllene oxide repressed cell cycle protein (Cyclin D1) 21924548
MMP-AC0084 CDKN1A cyclin-dependent kinase inhibitor 1A (p21, Cip1) 1026 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide induced the expression of p21 in a concentration-dependent manner in prostate tumor cells 21924548
MMP-AC0084 COX-2 cytochrome c oxidase subunit II 4513 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide suppressed the expression of anti-apoptotic gene products in a concentration-dependent manner. beta-caryophyllene oxide repressed proteins linked with metastasis i.e. COX-2 21924548
MMP-AC0084 MAPK1 mitogen-activated protein kinase 1 5594 Breast adenocarcinoma MCF-7 - - - - beta-caryophyllene oxide slightly upregulated the phosphorylation of p38 MAPK in the cancer cells. 21924548
MMP-AC0084 MAPK1 mitogen-activated protein kinase 1 5594 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide slightly upregulated the phosphorylation of p38 MAPK in the PC-3 cancer cells. 21924548
MMP-AC0084 MAPK8 mitogen-activated protein kinase 8 5599 Breast adenocarcinoma MCF-7 - - - - beta-caryophyllene oxide slightly upregulated the phosphorylation of JNK in the MCF-7 cancer cells. 21924548
MMP-AC0084 MTOR mechanistic target of rapamycin (serine/threonine kinase) 2475 Breast adenocarcinoma MCF-7 - - - - constitutive activation of mTOR was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 PARP1 poly (ADP-ribose) polymerase 1 142 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide induced PARP cleavage in a concentration-dependent manner 21924548
MMP-AC0084 PIK3CA phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 5290 Breast adenocarcinoma MCF-7 - - - - constitutive activation of PI3K was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 PIK3CA phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha 5290 Prostate Cancer PC-3 - - - - constitutive activation of PI3K was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 RPS6KB1 ribosomal protein S6 kinase, 70kDa, polypeptide 1 6198 Breast adenocarcinoma MCF-7 - - - - constitutive activation of S6K1 was suppressed by beta-caryophyllene oxide in a concentration-dependent manner 21924548
MMP-AC0084 TP53 tumor protein p53 7157 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide induced the expression of p53 in a concentration-dependent manner in prostate tumor cells 21924548
MMP-AC0084 VEGFA vascular endothelial growth factor A 7422 Prostate Cancer PC-3 - - - - beta-caryophyllene oxide suppressed the expression of anti-apoptotic gene products in a concentration-dependent manner. beta-caryophyllene oxide repressed proteins linked with angiogenesis i.e. VEGF 21924548