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ScientificNameLabel
isoferulic acid
PHCD compound ID : 1712
Chemical Names :
isoferulic acid
Molecular Formula : C10H10O4
Molecular Weight : 194.057909
More Details :
Names & Synonyms: (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid , (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid , (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid , (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid , (E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid
Smiles: COc1ccc(cc1O)/C=C/C(=O)O
InChi : InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChi Key : InChIKey=QURCVMIEKCOAJU-HWKANZROSA-N
PubChem ID : 736186
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.001835
Hydrogen bond donor count : 2 Electric dipole moment : 4.998
XLogP : 0.78 VDW volume : 180.23846
Molecular weight : 194.057909 HOMO-LUMO gap : 8.089000
Herb list :
Refrences & Litretures:
  
193.      Journal:'Journal of Chinese Pharmaceutical Sciences'      Year:'2007'      Volume:'16'      Page:'288'      DOI:'1003–1057(2007)4–288–06'      Title:'Chemical constituents of the flower buds of Tussilago farfara'
611.      Journal:'Analytica Chimica Acta'      Year:'2002'      Volume:'471'      Page:'61'      DOI:''      Title:'High-performance liquid chromatographic analysis of Black Cohosh (Cimicifuga racemosa) constituents with in-line evaporative light scattering and photodiode array detection'
612.      Journal:'J. Agric. Food Chem'      Year:'2002'      Volume:'50'      Page:'7022'      DOI:'10.1021/jf020725h'      Title:'Black Cohosh (Cimicifuga racemosa L.) Protects against Menadione-Induced DNA Damage through Scavenging of Reactive Oxygen Species: Bioassay-Directed Isolation and Characterization of Active Principles'
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