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ScientificNameLabel
Rhoeadine
PHCD compound ID : 3582
Chemical Names :
Rhoeadine
Molecular Formula : C21H21N1O6
Molecular Weight : 383.136887
More Details :
Names & Synonyms:
Smiles: CO[C@H]1O[C@@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C
InChi : InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
InChi Key : InChIKey=XRBIHOLQAKITPP-SBHAEUEKSA-N
PubChem ID : 197775
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.631909
Hydrogen bond donor count : 0 Electric dipole moment : 1.319
XLogP : 1.305 VDW volume : 323.752752
Molecular weight : 383.136887 HOMO-LUMO gap : 8.517000
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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