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ScientificNameLabel
chelirubine
PHCD compound ID : 3597
Chemical Names :
chelirubine
Molecular Formula : C21H16N1O5
Molecular Weight : 362.102848
More Details :
Names & Synonyms:
Smiles: COc1cc2OCOc2c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1
InChi : InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1
InChi Key : InChIKey=RNSBFHHWMMKJAM-UHFFFAOYSA-N
PubChem ID : 161243
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 11.281495
Hydrogen bond donor count : 0 Electric dipole moment : 3.609
XLogP : 3.648 VDW volume : 286.571378
Molecular weight : 362.102848 HOMO-LUMO gap : 6.278000
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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