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ScientificNameLabel
Hyoscyamal
PHCD compound ID : 1292
Chemical Names :
Hyoscyamal
Molecular Formula : C20H18O6
Molecular Weight : 354.110338
More Details :
Names & Synonyms:
Smiles: O=C/C=C/c1cc2c(c(c1)OC)O[C@@H]([C@H]2CO)c1ccc2c(c1)OCO2
InChi : InChI=1S/C20H18O6/c1-23-18-8-12(3-2-6-21)7-14-15(10-22)19(26-20(14)18)13-4-5-16-17(9-13)25-11-24-16/h2-9,15,19,22H,10-11H2,1H3/b3-2+/t15-,19+/m0/s1
InChi Key : InChIKey=WMSOKIAFJYVUKN-HMSPERNYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.768723
Hydrogen bond donor count : 1 Electric dipole moment : 2.531
XLogP : 1.113 VDW volume : 314.900007
Molecular weight : 354.110338 HOMO-LUMO gap : 7.818000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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