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1,5-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2914
Chemical Names :
1,5-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C20H20O6
Molecular Weight : 356.125988
More Details :
Names & Synonyms:
Smiles: COc1cc(ccc1O)[C@H](CC(=O)/C=C(/C=C/c1ccc(cc1)O)\O)O
InChi : InChI=1S/C20H20O6/c1-26-20-10-14(5-9-18(20)24)19(25)12-17(23)11-16(22)8-4-13-2-6-15(21)7-3-13/h2-11,19,21-22,24-25H,12H2,1H3/b8-4+,16-11-/t19-/m0/s1
InChi Key : InChIKey=LCGIDMGXEYDCFN-KBFWCXIDSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.534289
Hydrogen bond donor count : 4 Electric dipole moment : 4.135
XLogP : 1.046 VDW volume : 336.976466
Molecular weight : 356.125988 HOMO-LUMO gap : 7.344000
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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