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ScientificNameLabel
Fumariline
PHCD compound ID : 3399
Chemical Names :
Fumariline
Molecular Formula : C20H17N1O5
Molecular Weight : 351.110673
More Details :
Names & Synonyms: (7S)-6'-methylspiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one , (7S)-6'-methyl-8-spiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]one , (7S)-6'-methylspiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxol[4,5-g]isoquinoline]-8-one
Smiles: CN1CCc2c([C@@]31Cc1c(C3=O)c3OCOc3cc1)cc1c(c2)OCO1
InChi : InChI=1S/C20H17NO5/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(20)22/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1
InChi Key : InChIKey=GGQGUBWFVKJOER-FQEVSTJZSA-N
PubChem ID : 159888
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.599751
Hydrogen bond donor count : 0 Electric dipole moment : 3.658
XLogP : 0.967 VDW volume : 295.030082
Molecular weight : 351.110673 HOMO-LUMO gap : 7.964000
Herb list :
Refrences & Litretures:
  
471.      Journal:'Phytochem. Anal'      Year:'1999'      Volume:'10'      Page:'6'      DOI:''      Title:'Alkaloids and Organic Acids Content of Eight Fumaria Species'
472.      Journal:'Phytochem. Anal'      Year:'2002'      Volume:'13'      Page:'363'      DOI:'10.1002/pca.669'      Title:'Direct Determination of Alkaloid Contents in Fumaria Species by GC-MS'
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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