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ScientificNameLabel
Isoimperatorin
PHCD compound ID : 3141
Chemical Names :
Isoimperatorin
Molecular Formula : C16H14O4
Molecular Weight : 270.089209
More Details :
Names & Synonyms: 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one , 4-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone
Smiles: CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C
InChi : InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
InChi Key : InChIKey=IGWDEVSBEKYORK-UHFFFAOYSA-N
PubChem ID : 68081
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.906681
Hydrogen bond donor count : 0 Electric dipole moment : 7.518
XLogP : 2.538 VDW volume : 243.128533
Molecular weight : 270.089209 HOMO-LUMO gap : 8.012000
Herb list :
Refrences & Litretures:
  
429.      Journal:'Planta Med'      Year:'2009'      Volume:'75'      Page:'195'      DOI:'10.1055/s-0028-1088397'      Title:'In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens'
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