Skip Navigation Links
ScientificNameLabel
2,4,2',4'-tetrahydroxychalcone
PHCD compound ID : 3448
Chemical Names :
2,4,2',4'-tetrahydroxychalcone
Molecular Formula : C15H12O5
Molecular Weight : 272.068473
More Details :
Names & Synonyms: (E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one , (E)-1,3-bis(2,4-dihydroxyphenyl)-2-propen-1-one , (E)-1,3-bis[2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
Smiles: Oc1ccc(c(c1)O)/C=C/C(=O)c1ccc(cc1O)O
InChi : InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
InChi Key : InChIKey=ZWTDXYUDJYDHJR-QHHAFSJGSA-N
PubChem ID : 10107266
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.255876
Hydrogen bond donor count : 4 Electric dipole moment : 1.693
XLogP : 1.377 VDW volume : 244.342775
Molecular weight : 272.068473 HOMO-LUMO gap : 8.371000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us