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ScientificNameLabel
Adlumiceine
PHCD compound ID : 3394
Chemical Names :
Adlumiceine
Molecular Formula : C21H19N1O6
Molecular Weight : 381.121237
More Details :
Names & Synonyms: (6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]furo[3,4-g][1,3]benzodioxol-8-one , (6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-8-furo[3,4-g][1,3]benzodioxolone , (6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]furo[3,4-g][1,3]benzodioxol-8-one
Smiles: CN(CCc1cc2OCOc2cc1/C=C/1\OC(=O)c2c1ccc1c2OCO1)C
InChi : InChI=1S/C21H19NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-13(12)8-16-14-3-4-15-20(27-11-24-15)19(14)21(23)28-16/h3-4,7-9H,5-6,10-11H2,1-2H3/b16-8-
InChi Key : InChIKey=XTKRQNDALPUYMD-PXNMLYILSA-N
PubChem ID : 13968518
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.603104
Hydrogen bond donor count : 0 Electric dipole moment : 4.496
XLogP : 2.059 VDW volume : 330.836293
Molecular weight : 381.121237 HOMO-LUMO gap : 7.248000
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'
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