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ScientificNameLabel
Melatonin
PHCD compound ID : 2674
Chemical Names :
Melatonin
Molecular Formula : C13H16N2O2
Molecular Weight : 232.121178
More Details :
Names & Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide , N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2
InChi : InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChi Key : InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
PubChem ID : 896
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.410444
Hydrogen bond donor count : 2 Electric dipole moment : 4.497
XLogP : 0.963 VDW volume : 213.283022
Molecular weight : 232.121178 HOMO-LUMO gap : 8.126000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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