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ScientificNameLabel
Isoindigo
PHCD compound ID : 4729
Chemical Names :
Isoindigo
Molecular Formula : C16H10N2O2
Molecular Weight : 262.074228
More Details :
Names & Synonyms: (3E)-3-(2-oxoindolin-3-ylidene)indolin-2-one , (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one , (3E)-3-(2-oxidanylidene-1H-indol-3-ylidene)-1H-indol-2-one , (3E)-3-(2-ketoindolin-3-ylidene)oxindole
Smiles: O=C1Nc2c(/C/1=C/1\C(=O)Nc3c1cccc3)cccc2
InChi : InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+
InChi Key : InChIKey=MLCPSWPIYHDOKG-BUHFOSPRSA-N
PubChem ID : 5318575
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.901658
Hydrogen bond donor count : 2 Electric dipole moment : 0.001
XLogP : 0.464 VDW volume : 229.912223
Molecular weight : 262.074228 HOMO-LUMO gap : 7.178000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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