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ScientificNameLabel
Butein
PHCD compound ID : 3252
Chemical Names :
Butein
Molecular Formula : C15H12O5
Molecular Weight : 272.068473
More Details :
Names & Synonyms: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one , (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one , (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[3,4-bis(oxidanyl)phenyl]prop-2-en-1-one
Smiles: Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
InChi Key : InChIKey=AYMYWHCQALZEGT-ORCRQEGFSA-N
PubChem ID : 5281222
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.116607
Hydrogen bond donor count : 4 Electric dipole moment : 3.972
XLogP : 1.806 VDW volume : 244.342775
Molecular weight : 272.068473 HOMO-LUMO gap : 8.112000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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