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1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
PHCD compound ID : 2906
Chemical Names :
1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
Molecular Formula : C19H16O5
Molecular Weight : 324.099774
More Details :
Names & Synonyms: (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione , (1E,6E)-1-[3,4-bis(oxidanyl)phenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Smiles: O=C(CC(=O)/C=C\c1ccc(c(c1)O)O)/C=C/c1ccc(cc1)O
InChi : InChI=1S/C19H16O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-11,20,23-24H,12H2/b8-3+,9-4+
InChi Key : InChIKey=YZCBFQDXCIWDOS-BQYBEJQRSA-N
PubChem ID : 25055438
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.046662
Hydrogen bond donor count : 3 Electric dipole moment : 3.646
XLogP : 2.024 VDW volume : 308.253796
Molecular weight : 324.099774 HOMO-LUMO gap : 8.099000
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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