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ScientificNameLabel
Deoxyvasicinone
PHCD compound ID : 62
Chemical Names :
Deoxyvasicinone
Molecular Formula : C11H10N2O1
Molecular Weight : 186.079313
More Details :
Names & Synonyms: 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Smiles: O=c1c2ccccc2nc2n1CCC2
InChi : InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
InChi Key : InChIKey=VARHXCYGZKSOOO-UHFFFAOYSA-N
PubChem ID : 68261
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.042246
Hydrogen bond donor count : 0 Electric dipole moment : 2.528
XLogP : 0.301 VDW volume : 168.444367
Molecular weight : 186.079313 HOMO-LUMO gap : 8.447000
Herb list :
Refrences & Litretures:
  
3.      Journal:'Pharmacognosy Reviews'      Year:'2013'      Volume:'7'      Page:'199'      DOI:'10.4103/0973-7847.120524'      Title:'Pharmacological and therapeutic effects of Peganum harmala and its main alkaloids'
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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