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ScientificNameLabel
Cyclomulberrin
PHCD compound ID : 2207
Chemical Names :
Cyclomulberrin
Molecular Formula : C25H24O6
Molecular Weight : 420.157288
More Details :
Names & Synonyms: 3,8,10-trihydroxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one , 3,8,10-trihydroxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-[1]benzopyrano[4,3-b][1]benzopyran-7-one , 11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-3,8,10-tris(oxidanyl)-6H-chromeno[4,3-b]chromen-7-one
Smiles: CC(=CCc1c(O)cc(c2c1oc1c3ccc(cc3O[C@H](c1c2=O)C=C(C)C)O)O)C
InChi : InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3/t20-/m0/s1
InChi Key : InChIKey=SYFDWXWLRGHYAJ-FQEVSTJZSA-N
PubChem ID : 11742872
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.955345
Hydrogen bond donor count : 3 Electric dipole moment : 6.972
XLogP : 3.71 VDW volume : 396.107013
Molecular weight : 420.157288 HOMO-LUMO gap : 7.995000
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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