Skip Navigation Links
ScientificNameLabel
3-hydroxy-1,7-bis-(4-hydroxyphenyl)-6-heptene-1,5-dione
PHCD compound ID : 2913
Chemical Names :
3-hydroxy-1,7-bis-(4-hydroxyphenyl)-6-heptene-1,5-dione
Molecular Formula : C19H18O5
Molecular Weight : 326.115424
More Details :
Names & Synonyms: 3-hydroxy-1,7-bis(4-hydroxyphenyl)hept-6-ene-1,5-dione , 3-hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione , 1,7-bis(4-hydroxyphenyl)-3-oxidanyl-hept-6-ene-1,5-dione
Smiles: Oc1ccc(cc1)/C=C/C(=O)C[C@@H](CC(=O)c1ccc(cc1)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/h1-10,18,20-21,23H,11-12H2/b8-3+/t18-/m0/s1
InChi Key : InChIKey=NEZCLOILSKYYSV-QYDWLILUSA-N
PubChem ID : 91307775
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.257372
Hydrogen bond donor count : 3 Electric dipole moment : 5.794
XLogP : 0.321 VDW volume : 310.890254
Molecular weight : 326.115424 HOMO-LUMO gap : 8.508000
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