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ScientificNameLabel
Cyclomorusin
PHCD compound ID : 2210
Chemical Names :
Cyclomorusin
Molecular Formula : C25H22O6
Molecular Weight : 418.141638
More Details :
Names & Synonyms:
Smiles: CC(=C[C@H]1Oc2cc(O)ccc2c2c1c(=O)c1c(o2)c2C=CC(Oc2cc1O)(C)C)C
InChi : InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3/t19-/m1/s1
InChi Key : InChIKey=GDQXJMLXEYSICD-LJQANCHMSA-N
PubChem ID : 5481969
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.680622
Hydrogen bond donor count : 2 Electric dipole moment : 2.514
XLogP : 3.252 VDW volume : 383.750554
Molecular weight : 418.141638 HOMO-LUMO gap : 7.932000
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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