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ScientificNameLabel
trihydroxyoctadienoic acid
PHCD compound ID : 4727
Chemical Names :
trihydroxyoctadienoic acid
Molecular Formula : C8H12O5
Molecular Weight : 188.068473
More Details :
Names & Synonyms:
Smiles: CCC/C=C(/C(=C(/C(=O)O)\O)/O)\O
InChi : InChI=1S/C8H12O5/c1-2-3-4-5(9)6(10)7(11)8(12)13/h4,9-11H,2-3H2,1H3,(H,12,13)/b5-4-,7-6+
InChi Key : InChIKey=DSSCRYLXBKIYPU-SCFJQAPRSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.945391
Hydrogen bond donor count : 4 Electric dipole moment : 3.282
XLogP : 1.587 VDW volume : 182.966093
Molecular weight : 188.068473 HOMO-LUMO gap : 8.118000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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