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ScientificNameLabel
Pegamine
PHCD compound ID : 65
Chemical Names :
Pegamine
Molecular Formula : C11H12N2O2
Molecular Weight : 204.089878
More Details :
Names & Synonyms: 2-(3-hydroxypropyl)-1H-quinazolin-4-one , 2-(3-oxidanylpropyl)-1H-quinazolin-4-one
Smiles: OCCCc1nc(=O)c2c([nH]1)cccc2
InChi : InChI=1S/C11H12N2O2/c14-7-3-6-10-12-9-5-2-1-4-8(9)11(15)13-10/h1-2,4-5,14H,3,6-7H2,(H,12,13,15)
InChi Key : InChIKey=PVVTWNMXEHROIA-UHFFFAOYSA-N
PubChem ID : 6325786
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.310089
Hydrogen bond donor count : 2 Electric dipole moment : 5.339
XLogP : 0.654 VDW volume : 189.591052
Molecular weight : 204.089878 HOMO-LUMO gap : 8.596000
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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