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ScientificNameLabel
Neodihydrothebaine
PHCD compound ID : 3598
Chemical Names :
Neodihydrothebaine
Molecular Formula : C19H23N1O3
Molecular Weight : 313.167794
More Details :
Names & Synonyms:
Smiles: COc1ccc2c(c1)c1c(CCN(CC2)C)ccc(c1O)OC
InChi : InChI=1S/C19H23NO3/c1-20-10-8-13-4-6-15(22-2)12-16(13)18-14(9-11-20)5-7-17(23-3)19(18)21/h4-7,12,21H,8-11H2,1-3H3
InChi Key : InChIKey=OGGKNTCSNQEOIM-UHFFFAOYSA-N
PubChem ID : 15923189
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.435231
Hydrogen bond donor count : 1 Electric dipole moment : 3.035
XLogP : 1.45 VDW volume : 299.859479
Molecular weight : 313.167794 HOMO-LUMO gap : 8.641000
Herb list :
Refrences & Litretures:
  
501.      Journal:'Journal of Medicinal Plants'      Year:'2015'      Volume:'14'      Page:'6'      DOI:''      Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
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