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ScientificNameLabel
Parfumidine
PHCD compound ID : 3428
Chemical Names :
Parfumidine
Molecular Formula : C21H21N1O5
Molecular Weight : 367.141973
More Details :
Names & Synonyms:
Smiles: COc1cc2c(cc1OC)CCN([C@]12Cc2c(C1=O)c1OCOc1cc2)C
InChi : InChI=1S/C21H21NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9H,6-7,10-11H2,1-3H3/t21-/m0/s1
InChi Key : InChIKey=PSBYWDSXDKNYKB-NRFANRHFSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.657900
Hydrogen bond donor count : 0 Electric dipole moment : 1.634
XLogP : 1.04 VDW volume : 324.682525
Molecular weight : 367.141973 HOMO-LUMO gap : 7.970000
Herb list :
Refrences & Litretures:
  
479.      Journal:'J. Yeast Fungal Res'      Year:'2013'      Volume:'4'      Page:'21'      DOI:'10.5897/JYFR2013.0108'      Title:'In vitro antifungal effects of Fumaria vaillantii Loisel. essential oil on Aspergillus flavus'
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