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ScientificNameLabel
Fumaritine
PHCD compound ID : 3400
Chemical Names :
Fumaritine
Molecular Formula : C20H21N1O5
Molecular Weight : 355.141973
More Details :
Names & Synonyms: (1S,8'R)-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol , (1S,8'R)-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
Smiles: COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3O)c2OCOc2cc1)C
InChi : InChI=1S/C20H21NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3/t19-,20+/m1/s1
InChi Key : InChIKey=YUIGSRGRYOBFRF-UXHICEINSA-N
PubChem ID : 21627986
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.456297
Hydrogen bond donor count : 2 Electric dipole moment : 2.255
XLogP : 0.333 VDW volume : 310.022999
Molecular weight : 355.141973 HOMO-LUMO gap : 8.355000
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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