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1,7-bis(4-hydroxyphenyl)-1-heptene-3,5-dione
PHCD compound ID : 2911
Chemical Names :
1,7-bis(4-hydroxyphenyl)-1-heptene-3,5-dione
Molecular Formula : C19H18O4
Molecular Weight : 310.120509
More Details :
Names & Synonyms: 1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione , 1,7-bis(4-hydroxyphenyl)-1-heptene-3,5-dione
Smiles: O=C(CC(=O)/C=C/c1ccc(cc1)O)CCc1ccc(cc1)O
InChi : InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,20-21H,6,12-13H2/b11-5+
InChi Key : InChIKey=AWUBJLRYWHOLFW-VZUCSPMQSA-N
PubChem ID : 53666293
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.234189
Hydrogen bond donor count : 2 Electric dipole moment : 5.688
XLogP : 1.636 VDW volume : 302.100028
Molecular weight : 310.120509 HOMO-LUMO gap : 8.271000
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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