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ScientificNameLabel
shogaol
PHCD compound ID : 3010
Chemical Names :
shogaol
Molecular Formula : C17H24O3
Molecular Weight : 276.172545
More Details :
Names & Synonyms: (E)-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one , (E)-1-(4-hydroxy-3-methoxyphenyl)-4-decen-3-one , (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one , (E)-1-(3-methoxy-4-oxidanyl-phenyl)dec-4-en-3-one
Smiles: CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O
InChi : InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChi Key : InChIKey=OQWKEEOHDMUXEO-BQYQJAHWSA-N
PubChem ID : 5281794
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.669114
Hydrogen bond donor count : 1 Electric dipole moment : 4.565
XLogP : 3.775 VDW volume : 292.520125
Molecular weight : 276.172545 HOMO-LUMO gap : 8.765000
Herb list :
Refrences & Litretures:
  
379.      Journal:'Pharmaceut Anal Acta'      Year:'2012'      Volume:'3'      Page:'1'      DOI:'10.4172/2153-2435.1000184'      Title:'Chemical Composition and Antimicrobial Activity of the Crude Extracts Isolated from Zingiber Officinale by Different Solvents'
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