Skip Navigation Links
ScientificNameLabel
1,5-dihydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2915
Chemical Names :
1,5-dihydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C20H20O6
Molecular Weight : 356.125988
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C/C(=C/C(=O)C[C@@H](c2ccc(cc2)O)O)/O)ccc1O
InChi : InChI=1S/C20H20O6/c1-26-20-10-13(3-9-18(20)24)2-6-16(22)11-17(23)12-19(25)14-4-7-15(21)8-5-14/h2-11,19,21-22,24-25H,12H2,1H3/b6-2+,16-11-/t19-/m0/s1
InChi Key : InChIKey=VWXOCQKDEKTFRM-QPBJTIGTSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.982770
Hydrogen bond donor count : 4 Electric dipole moment : 4.329
XLogP : 0.835 VDW volume : 336.976466
Molecular weight : 356.125988 HOMO-LUMO gap : 7.780000
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.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us