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ScientificNameLabel
mulberrofuran B
PHCD compound ID : 3464
Chemical Names :
mulberrofuran B
Molecular Formula : C25H28O4
Molecular Weight : 392.198759
More Details :
Names & Synonyms: 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-benzofuran-2-yl]benzene-1,3-diol , 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-2-benzofuranyl]benzene-1,3-diol , 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol , 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-benzofuran-2-yl]resorcinol
Smiles: COc1ccc2c(c1C/C=C(/CCC=C(C)C)\C)oc(c2)c1cc(O)cc(c1)O
InChi : InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-10-22-23(28-4)11-9-18-14-24(29-25(18)22)19-12-20(26)15-21(27)13-19/h6,8-9,11-15,26-27H,5,7,10H2,1-4H3/b17-8+
InChi Key : InChIKey=OZLRLDMVAJOIKX-CAOOACKPSA-N
PubChem ID : 6440635
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.384091
Hydrogen bond donor count : 2 Electric dipole moment : 1.067
XLogP : 5.29 VDW volume : 382.619477
Molecular weight : 392.198759 HOMO-LUMO gap : 7.583000
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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