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ScientificNameLabel
Stachydrine
PHCD compound ID : 5153
Chemical Names :
Stachydrine
Molecular Formula : C7H13N1O2
Molecular Weight : 143.094629
More Details :
Names & Synonyms: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate , (2S)-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate , (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Smiles: [O-]C(=O)[C@@H]1CCC[N+]1(C)C
InChi : InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChi Key : InChIKey=CMUNUTVVOOHQPW-LURJTMIESA-N
PubChem ID : 115244
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.816448
Hydrogen bond donor count : 0 Electric dipole moment : 11.512
XLogP : -0.618 VDW volume : 143.212647
Molecular weight : 143.094629 HOMO-LUMO gap : 9.098000
Herb list :
Refrences & Litretures:
  
818.      Journal:'International Journal of Phytomedicine'      Year:'2010'      Volume:'2'      Page:'10'      DOI:'10.5138/ijpm.2010.0975.0185.02002'      Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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