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Heptadecatetraen-(2,8,10,16)-diin-(4,6)-al-(1)
PHCD compound ID : 5612
Chemical Names :
Heptadecatetraen-(2,8,10,16)-diin-(4,6)-al-(1)
Molecular Formula : C17H18O1
Molecular Weight : 238.135765
More Details :
Names & Synonyms:
Smiles: C=CCCCC/C=C/C=C/C#CC#C/C=C/C=O
InChi : InChI=1S/C17H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2,7-10,15-17H,1,3-6H2/b8-7+,10-9+,16-15+
InChi Key : InChIKey=GTUMMNFTYXVUQK-YJWTVKCOSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.988579
Hydrogen bond donor count : 0 Electric dipole moment : 5.034
XLogP : 5.899 VDW volume : 287.650296
Molecular weight : 238.135765 HOMO-LUMO gap : 7.701000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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