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ScientificNameLabel
Harmaline
PHCD compound ID : 55
Chemical Names :
Harmaline
Molecular Formula : C13H14N2O1
Molecular Weight : 214.110613
More Details :
Names & Synonyms: 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole , 7-methoxy-1-methyl-3,4-dihydro-2H-$b-carboline
Smiles: COc1ccc2=C3C(=C(C)NCC3)N=c2c1
InChi : InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
InChi Key : InChIKey=QJOZJXNKVMFAET-UHFFFAOYSA-N
PubChem ID : 5280951
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 7.667361
Hydrogen bond donor count : 1 Electric dipole moment : 6.671
XLogP : 0.816 VDW volume : 203.036336
Molecular weight : 214.110613 HOMO-LUMO gap : 6.804000
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'
631.      Journal:'Phcog Rev'      Year:'2009'      Volume:'3'      Page:'186'      DOI:''      Title:'Passiflora Incarnata Linn: A Review on Morphology, Phytochemistry and Pharmacological Aspects'
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