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ScientificNameLabel
Gadolic acid
PHCD compound ID : 4184
Chemical Names :
Gadolic acid , Gadoleic acid
Molecular Formula : C20H38O2
Molecular Weight : 310.28718
More Details :
Names & Synonyms: (Z)-icos-9-enoic acid , (Z)-9-eicosenoic acid , gadoleic acid
Smiles: CCCCCCCCCC/C=C\CCCCCCCC(=O)O
InChi : InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
InChi Key : InChIKey=LQJBNNIYVWPHFW-QXMHVHEDSA-N
PubChem ID : 5282767
Rotatable bond count : 17 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.626633
Hydrogen bond donor count : 1 Electric dipole moment : 1.892
XLogP : 9.33 VDW volume : 366.783687
Molecular weight : 310.28718 HOMO-LUMO gap : 10.598000
Herb list :
Refrences & Litretures:
  
588.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'1524'      DOI:'10.1080/14786410903312991'      Title:'Chemical composition and biological activity of ripe pumpkin fruits (Cucurbita pepo L.) cultivated in Egyptian habitats'
604.      Journal:'American Journal of Biochemistry and Molecular Biology'      Year:'2011'      Volume:'1'      Page:'145'      DOI:'10.3923/ajbmb.2011.145.157'      Title:'Biochemical Analysis of Black and White Sesame Seeds from China'
644.      Journal:'Int. J. Biosci'      Year:'2015'      Volume:'6'      Page:'156'      DOI:''      Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'
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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