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ScientificNameLabel
moracin M
PHCD compound ID : 3446
Chemical Names :
moracin M
Molecular Formula : C14H10O4
Molecular Weight : 242.057909
More Details :
Names & Synonyms: 5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol , 5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol , 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol , 5-(6-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol , 5-(6-hydroxybenzofuran-2-yl)resorcinol
Smiles: Oc1cc(O)cc(c1)c1oc2c(c1)ccc(c2)O
InChi : InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H
InChi Key : InChIKey=LHPRYOJTASOZGJ-UHFFFAOYSA-N
PubChem ID : 185848
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.726703
Hydrogen bond donor count : 3 Electric dipole moment : 1.777
XLogP : 1.524 VDW volume : 197.636563
Molecular weight : 242.057909 HOMO-LUMO gap : 7.757000
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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