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ScientificNameLabel
Prunetin
PHCD compound ID : 3677
Chemical Names :
Prunetin
Molecular Formula : C16H12O5
Molecular Weight : 284.068473
More Details :
Names & Synonyms: 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one , 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one , 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one , 3-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one , 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromone
Smiles: COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O
InChi : InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChi Key : InChIKey=KQMVAGISDHMXJJ-UHFFFAOYSA-N
PubChem ID : 5281804
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.892604
Hydrogen bond donor count : 2 Electric dipole moment : 2.425
XLogP : 1.364 VDW volume : 249.282301
Molecular weight : 284.068473 HOMO-LUMO gap : 8.149000
Herb list :
Refrences & Litretures:
  
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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