Skip Navigation Links
ScientificNameLabel
Bisindigotin
PHCD compound ID : 4739
Chemical Names :
Bisindigotin
Molecular Formula : C32H18N4O2
Molecular Weight : 490.142976
More Details :
Names & Synonyms: 2-[3-[(2E)-2-(3-oxoindolin-2-ylidene)indol-3-yl]indol-2-ylidene]indolin-3-one , 2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)-3-indolyl]-2-indolylidene]-1H-indol-3-one , 2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one , 2-[3-[(2E)-2-(3-oxidanylidene-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one , 2-[3-[(2E)-2-(3-ketoindolin-2-ylidene)indol-3-yl]indol-2-ylidene]pseudoindoxyl
Smiles: O=C1c2ccccc2N/C/1=C\1/N=c2c(=C1C1=c3ccccc3=N/C/1=C\1/Nc3c(C1=O)cccc3)cccc2
InChi : InChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,35-36H/b29-27+,30-28+
InChi Key : InChIKey=KQRSGRCNDVKDRJ-QAVVBOBSSA-N
PubChem ID : 102465002
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.360633
Hydrogen bond donor count : 2 Electric dipole moment : 2.922
XLogP : 3.588 VDW volume : 433.687535
Molecular weight : 490.142976 HOMO-LUMO gap : 6.117000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us