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ScientificNameLabel
moracin C
PHCD compound ID : 3452
Chemical Names :
moracin C
Molecular Formula : C19H18O4
Molecular Weight : 310.120509
More Details :
Names & Synonyms: 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol , 5-(6-hydroxy-2-benzofuranyl)-2-(3-methylbut-2-enyl)benzene-1,3-diol , 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol , 2-(3-methylbut-2-enyl)-5-(6-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol , 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)resorcinol
Smiles: CC(=CCc1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C
InChi : InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
InChi Key : InChIKey=ZTGHWUWBQNCCOH-UHFFFAOYSA-N
PubChem ID : 155248
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.555103
Hydrogen bond donor count : 3 Electric dipole moment : 2.667
XLogP : 3.147 VDW volume : 281.480028
Molecular weight : 310.120509 HOMO-LUMO gap : 7.698000
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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