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ScientificNameLabel
Hygrine
PHCD compound ID : 1938
Chemical Names :
Hygrine
Molecular Formula : C8H15N1O1
Molecular Weight : 141.115364
More Details :
Names & Synonyms: 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one , 1-[(2S)-1-methyl-2-pyrrolidinyl]-2-propanone , 1-[(2S)-1-methylpyrrolidin-2-yl]acetone
Smiles: CC(=O)C[C@@H]1CCCN1C
InChi : InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1
InChi Key : InChIKey=ADKXZIOQKHHDNQ-QMMMGPOBSA-N
PubChem ID : 443144
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.975743
Hydrogen bond donor count : 0 Electric dipole moment : 2.330
XLogP : 0.411 VDW volume : 151.718405
Molecular weight : 141.115364 HOMO-LUMO gap : 9.958000
Herb list :
Refrences & Litretures:
  
231.      Journal:'Fitoterapia'      Year:'2006'      Volume:'77'      Page:'179'      DOI:'10.1016/j.fitote.2006.01.002'      Title:'Alkaloid patterns in some varieties of Datura stramonium'
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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