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ScientificNameLabel
2-Methoxy-3,8-dioxocephalotax-1-ene
PHCD compound ID : 2854
Chemical Names :
2-Methoxy-3,8-dioxocephalotax-1-ene
Molecular Formula : C18H17N1O5
Molecular Weight : 327.110673
More Details :
Names & Synonyms:
Smiles: COC1=C[C@]23[C@@H](C1=O)c1cc4OCOc4cc1CCN3C(=O)CC2
InChi : InChI=1S/C18H17NO5/c1-22-14-8-18-4-2-15(20)19(18)5-3-10-6-12-13(24-9-23-12)7-11(10)16(18)17(14)21/h6-8,16H,2-5,9H2,1H3/t16-,18+/m1/s1
InChi Key : InChIKey=KMFXSTOEBLYIJV-AEFFLSMTSA-N
PubChem ID : 629936
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.690005
Hydrogen bond donor count : 0 Electric dipole moment : 3.395
XLogP : 0.176 VDW volume : 286.33103
Molecular weight : 327.110673 HOMO-LUMO gap : 8.216000
Herb list :
Refrences & Litretures:
  
358.      Journal:'Food Chemistry'      Year:'2010'      Volume:'120'      Page:'308'      DOI:'10.1016/j.foodchem.2009.09.084'      Title:'Comparative evaluation of the antibacterial activities of the essential oils of Rosmarinus officinalis L. obtained by hydrodistillation and solvent free microwave extraction methods'
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