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ScientificNameLabel
Ampeloptin
PHCD compound ID : 3210
Chemical Names :
Ampeloptin
Molecular Formula : C15H12O8
Molecular Weight : 320.053217
More Details :
Names & Synonyms: (2R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one , (2R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one , (2R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one , (2R)-3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-2,3-dihydrochromen-4-one
Smiles: Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@@H](C(=O)c2c(c1)O)O
InChi : InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15-/m1/s1
InChi Key : InChIKey=KJXSIXMJHKAJOD-HUUCEWRRSA-N
PubChem ID : 91632911
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 8 Ionization potential : 8.873690
Hydrogen bond donor count : 6 Electric dipole moment : 2.745
XLogP : 1.151 VDW volume : 260.993455
Molecular weight : 320.053217 HOMO-LUMO gap : 8.017000
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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