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ScientificNameLabel
Papaverrubine E
PHCD compound ID : 3588
Chemical Names :
Papaverrubine E
Molecular Formula : C20H19N1O6
Molecular Weight : 369.121237
More Details :
Names & Synonyms:
Smiles: CO[C@@H]1O[C@@H]2c3cc4OCOc4cc3CCN[C@H]2c2c1c1OCOc1cc2
InChi : InChI=1S/C20H19NO6/c1-22-20-16-11(2-3-13-19(16)26-9-23-13)17-18(27-20)12-7-15-14(24-8-25-15)6-10(12)4-5-21-17/h2-3,6-7,17-18,20-21H,4-5,8-9H2,1H3/t17-,18+,20+/m0/s1
InChi Key : InChIKey=XXNNKVDBGXCFHP-NLWGTHIKSA-N
PubChem ID : 601058
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.604952
Hydrogen bond donor count : 1 Electric dipole moment : 1.192
XLogP : 1.066 VDW volume : 306.456767
Molecular weight : 369.121237 HOMO-LUMO gap : 8.465000
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'
502.      Journal:'Journal of Ethnopharmacology'      Year:'1981'      Volume:'3'      Page:'21'      DOI:''      Title:'BIOLOGICAL ACTIVITY OF THE ALKALOIDS OF PAPAVER BRACTEATUM LINDL'
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