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ScientificNameLabel
Bicuculline
PHCD compound ID : 3429
Chemical Names :
Bicuculline
Molecular Formula : C20H17N1O6
Molecular Weight : 367.105587
More Details :
Names & Synonyms: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one , (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
Smiles: CN1CCc2c([C@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1
InChi : InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
InChi Key : InChIKey=IYGYMKDQCDOMRE-ZWKOTPCHSA-N
PubChem ID : 10237
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.652928
Hydrogen bond donor count : 0 Electric dipole moment : 4.496
XLogP : 1.446 VDW volume : 303.820309
Molecular weight : 367.105587 HOMO-LUMO gap : 7.858000
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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