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ScientificNameLabel
Harmalol
PHCD compound ID : 56
Chemical Names :
Harmalol
Molecular Formula : C12H12N2O1
Molecular Weight : 200.094963
More Details :
Names & Synonyms: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one , 1-methyl-2,3,4,9-tetrahydro-$b-carbolin-7-one
Smiles: O=C1C=Cc2c(=C1)[nH]c1=C(C)NCCc21
InChi : InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,13-14H,4-5H2,1H3
InChi Key : InChIKey=CRQDWQWZCNKKAC-UHFFFAOYSA-N
PubChem ID : 5353656
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 7.711156
Hydrogen bond donor count : 2 Electric dipole moment : 11.443
XLogP : 0.834 VDW volume : 185.740352
Molecular weight : 200.094963 HOMO-LUMO gap : 6.507000
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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