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ScientificNameLabel
Papaverrubine G
PHCD compound ID : 3581
Chemical Names :
Papaverrubine G
Molecular Formula : C22H27N1O6
Molecular Weight : 401.183838
More Details :
Names & Synonyms:
Smiles: COc1cc2CCN[C@H]3[C@H](c2cc1OC)O[C@H](OC)c1c3ccc(c1OC)OC
InChi : InChI=1S/C22H27NO6/c1-24-15-7-6-13-18(21(15)27-4)22(28-5)29-20-14-11-17(26-3)16(25-2)10-12(14)8-9-23-19(13)20/h6-7,10-11,19-20,22-23H,8-9H2,1-5H3/t19-,20+,22+/m1/s1
InChi Key : InChIKey=JZGGRLULXQPDRV-URVUXULASA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.391786
Hydrogen bond donor count : 1 Electric dipole moment : 1.865
XLogP : 1.212 VDW volume : 365.761654
Molecular weight : 401.183838 HOMO-LUMO gap : 8.545000
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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