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ScientificNameLabel
Dihydrofumariline
PHCD compound ID : 3430
Chemical Names :
Dihydrofumariline
Molecular Formula : C20H19N1O5
Molecular Weight : 353.126323
More Details :
Names & Synonyms: (7S,8R)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-ol , (7S,8R)-6'-methyl-8-spiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]ol , (7S,8R)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxol[4,5-g]isoquinoline]-8-ol
Smiles: CN1CCc2c([C@@]31Cc1c([C@H]3O)c3OCOc3cc1)cc1c(c2)OCO1
InChi : InChI=1S/C20H19NO5/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/h2-3,6-7,19,22H,4-5,8-10H2,1H3/t19-,20+/m1/s1
InChi Key : InChIKey=AKCAVBOVRWGORC-UXHICEINSA-N
PubChem ID : 102118431
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.680721
Hydrogen bond donor count : 1 Electric dipole moment : 1.987
XLogP : 0.581 VDW volume : 297.666541
Molecular weight : 353.126323 HOMO-LUMO gap : 8.569000
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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