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1,5-dihydroxy-1,7-bis(4-hydroxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2917
Chemical Names :
1,5-dihydroxy-1,7-bis(4-hydroxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C19H18O5
Molecular Weight : 326.115424
More Details :
Names & Synonyms:
Smiles: Oc1ccc(cc1)/C=C/C(=C/C(=O)C[C@@H](c1ccc(cc1)O)O)/O
InChi : InChI=1S/C19H18O5/c20-15-6-1-13(2-7-15)3-8-17(22)11-18(23)12-19(24)14-4-9-16(21)10-5-14/h1-11,19-22,24H,12H2/b8-3+,17-11-/t19-/m0/s1
InChi Key : InChIKey=KCCQFTTZQGVDFQ-FMDJRYOOSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.007090
Hydrogen bond donor count : 4 Electric dipole moment : 5.148
XLogP : 0.806 VDW volume : 310.890254
Molecular weight : 326.115424 HOMO-LUMO gap : 7.787000
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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