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ScientificNameLabel
kuwanon E
PHCD compound ID : 3461
Chemical Names :
kuwanon E
Molecular Formula : C25H28O6
Molecular Weight : 424.188589
More Details :
Names & Synonyms: 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chroman-4-one , 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one , 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one , 2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Smiles: C/C(=C\Cc1cc(c(cc1O)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)/CCC=C(C)C
InChi : InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+/t23-/m0/s1
InChi Key : InChIKey=GJFHZVPRFLHEBR-KETROQBRSA-N
PubChem ID : 10342292
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.016485
Hydrogen bond donor count : 4 Electric dipole moment : 4.163
XLogP : 4.154 VDW volume : 411.09993
Molecular weight : 424.188589 HOMO-LUMO gap : 8.739000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
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