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ScientificNameLabel
moracin N
PHCD compound ID : 3454
Chemical Names :
moracin N
Molecular Formula : C19H18O4
Molecular Weight : 310.120509
More Details :
Names & Synonyms: 5-[6-hydroxy-5-(3-methylbut-2-enyl)benzofuran-2-yl]benzene-1,3-diol , 5-[6-hydroxy-5-(3-methylbut-2-enyl)-2-benzofuranyl]benzene-1,3-diol , 5-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol , 5-[5-(3-methylbut-2-enyl)-6-oxidanyl-1-benzofuran-2-yl]benzene-1,3-diol , 5-[6-hydroxy-5-(3-methylbut-2-enyl)benzofuran-2-yl]resorcinol
Smiles: CC(=CCc1cc2cc(oc2cc1O)c1cc(O)cc(c1)O)C
InChi : InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3
InChi Key : InChIKey=WBSCSIABHGPAMC-UHFFFAOYSA-N
PubChem ID : 641376
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.540147
Hydrogen bond donor count : 3 Electric dipole moment : 5.295
XLogP : 3.147 VDW volume : 281.480028
Molecular weight : 310.120509 HOMO-LUMO gap : 7.688000
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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