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ScientificNameLabel
Parfumine
PHCD compound ID : 3403
Chemical Names :
Parfumine
Molecular Formula : C20H19N1O5
Molecular Weight : 353.126323
More Details :
Names & Synonyms: 7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one , 7-hydroxy-6-methoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]one , 7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one , 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 : 376403
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.446508
Hydrogen bond donor count : 1 Electric dipole moment : 1.755
XLogP : 0.719 VDW volume : 307.386541
Molecular weight : 353.126323 HOMO-LUMO gap : 7.815000
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'
477.      Journal:'Planta Medica'      Year:'1985'      Volume:'51'      Page:'319'      DOI:''      Title:'Separation and Quantification of Some Alkaloids from Fumaria parviflora by Capillary Isotachophoresis'
478.      Journal:'Journal of Asian Natural Products Research'      Year:'2014'      Volume:'16'      Page:'1148'      DOI:'10.1080/10286020.2014.969717'      Title:'Adlumiceine methyl ester, a new alkaloid from Fumaria vaillantii'
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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