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ScientificNameLabel
Deoxypeganine
PHCD compound ID : 61
Chemical Names :
Deoxypeganine
Molecular Formula : C11H12N2
Molecular Weight : 172.100048
More Details :
Names & Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
Smiles: C1CC2=Nc3c(CN2C1)cccc3
InChi : InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2
InChi Key : InChIKey=WUFQLZTXIWKION-UHFFFAOYSA-N
PubChem ID : 442894
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.240916
Hydrogen bond donor count : 0 Electric dipole moment : 4.159
XLogP : 1.264 VDW volume : 162.290599
Molecular weight : 172.100048 HOMO-LUMO gap : 8.228000
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'
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