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ScientificNameLabel
Kuwanon S
PHCD compound ID : 2205
Chemical Names :
Kuwanon S
Molecular Formula : C25H26O5
Molecular Weight : 406.178024
More Details :
Names & Synonyms: 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromen-4-one , 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-1-benzopyran-4-one , 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one , 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)chromen-4-one , 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromone
Smiles: C/C(=C\Cc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)/CCC=C(C)C
InChi : InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-14,26-28H,4,6,8H2,1-3H3/b16-7+
InChi Key : InChIKey=UXXAQCSTQAIKEM-FRKPEAEDSA-N
PubChem ID : 6450924
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.071570
Hydrogen bond donor count : 3 Electric dipole moment : 3.090
XLogP : 4.583 VDW volume : 399.673245
Molecular weight : 406.178024 HOMO-LUMO gap : 8.080000
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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