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ScientificNameLabel
(+)-parfumine
PHCD compound ID : 3412
Chemical Names :
(+)-parfumine
Molecular Formula : C20H19N1O5
Molecular Weight : 353.126323
More Details :
Names & Synonyms: (1S)-7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one , (1S)-7-hydroxy-6-methoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]one , (1S)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one , (1S)-6-methoxy-2-methyl-7-oxidanyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
Smiles: COc1cc2CCN([C@]3(c2cc1O)Cc1c(C3=O)c2OCOc2cc1)C
InChi : InChI=1S/C20H19NO5/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/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1
InChi Key : InChIKey=AHNUBWYOIHCGFN-FQEVSTJZSA-N
PubChem ID : 185623
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.446178
Hydrogen bond donor count : 1 Electric dipole moment : 1.746
XLogP : 0.719 VDW volume : 307.386541
Molecular weight : 353.126323 HOMO-LUMO gap : 7.814000
Herb list :
Refrences & Litretures:
  
473.      Journal:'Magn. Reson. Chem'      Year:'2004'      Volume:'42'      Page:'882'      DOI:'10.1002/mrc.1417'      Title:'1Hand 13C NMR signal assignment of benzylisoquinoline alkaloids from Fumaria of?cinalis L. (Papaveraceae)'
474.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1112'      Page:'331'      DOI:'10.1016/j.chroma.2005.12.008'      Title:'Quanti?cation of Fumaria of?cinalis isoquinoline alkaloids by nonaqueous capillary electrophoresis–electrospray ion trap mass spectrometry'
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