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ScientificNameLabel
4"-(4"'-hydroxyphenyl)-2"-oxo-3"-butenyl-3-(4'-hydroxyphenyl-3'-methoxy)-propenoate
PHCD compound ID : 2924
Chemical Names :
4"-(4"'-hydroxyphenyl)-2"-oxo-3"-butenyl-3-(4'-hydroxyphenyl-3'-methoxy)-propenoate
Molecular Formula : C20H18O6
Molecular Weight : 354.110338
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C/C(=O)OCC(=O)/C=C/c2ccc(cc2)O)ccc1O
InChi : InChI=1S/C20H18O6/c1-25-19-12-15(5-10-18(19)23)6-11-20(24)26-13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,23H,13H2,1H3/b9-4+,11-6+
InChi Key : InChIKey=YJCNIIKXRAQFAR-WOARVNPXSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.820388
Hydrogen bond donor count : 2 Electric dipole moment : 2.637
XLogP : 1.576 VDW volume : 334.340007
Molecular weight : 354.110338 HOMO-LUMO gap : 7.989000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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