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ScientificNameLabel
Peganol
PHCD compound ID : 66
Chemical Names :
Peganol
Molecular Formula : C11H12N2O1
Molecular Weight : 188.094963
More Details :
Names & Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol
Smiles: O[C@H]1N2CCCC2=Nc2c1cccc2
InChi : InChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2/t11-/m1/s1
InChi Key : InChIKey=RDWJAMWCGSWTQS-LLVKDONJSA-N
PubChem ID : 3756584
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.510990
Hydrogen bond donor count : 1 Electric dipole moment : 4.688
XLogP : 0.795 VDW volume : 171.080826
Molecular weight : 188.094963 HOMO-LUMO gap : 8.436000
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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