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ScientificNameLabel
Atalantoflavone
PHCD compound ID : 2212
Chemical Names :
Atalantoflavone
Molecular Formula : C20H16O5
Molecular Weight : 336.099774
More Details :
Names & Synonyms: 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4-pyrano[2,3-h][1]benzopyranone , 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one , 2-(4-hydroxyphenyl)-8,8-dimethyl-5-oxidanyl-pyrano[2,3-h]chromen-4-one
Smiles: Oc1ccc(cc1)c1cc(=O)c2c(o1)c1C=CC(Oc1cc2O)(C)C
InChi : InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
InChi Key : InChIKey=YEUHAZULDUVZLA-UHFFFAOYSA-N
PubChem ID : 14162621
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.787822
Hydrogen bond donor count : 2 Electric dipole moment : 6.322
XLogP : 2.303 VDW volume : 303.473322
Molecular weight : 336.099774 HOMO-LUMO gap : 8.194000
Herb list :
Refrences & Litretures:
  
259.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'1224'      DOI:'10.1016/j. tote.2010.08.006'      Title:'Cytotoxic prenylated ?avonoids from Morus alba'
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