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ScientificNameLabel
Indigo
PHCD compound ID : 4732
Chemical Names :
Indigo
Molecular Formula : C16H10N2O2
Molecular Weight : 262.074228
More Details :
Names & Synonyms: (2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one , (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one , (2E)-2-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-3-one , (2E)-2-(3-ketoindolin-2-ylidene)pseudoindoxyl
Smiles: O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2
InChi : InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
InChi Key : InChIKey=COHYTHOBJLSHDF-BUHFOSPRSA-N
PubChem ID : 5318432
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.186283
Hydrogen bond donor count : 2 Electric dipole moment : 0.049
XLogP : 2.604 VDW volume : 229.912223
Molecular weight : 262.074228 HOMO-LUMO gap : 6.578000
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'
751.      Journal:'Phytothérapie'      Year:'2012'      Volume:'10'      Page:'238'      DOI:'10.1007/s10298-012-0717-y'      Title:'Isatis tinctoria L. Brassicaceae : le pastel des teinturiers'
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