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ScientificNameLabel
moracin O
PHCD compound ID : 3449
Chemical Names :
moracin O
Molecular Formula : C19H18O5
Molecular Weight : 326.115424
More Details :
Names & Synonyms: 5-[6-(1-hydroxy-1-methyl-ethyl)-5,6-dihydrofuro[3,2-f]benzofuran-2-yl]benzene-1,3-diol , 5-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f]benzofuran-2-yl]benzene-1,3-diol , 5-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol , 5-[6-(2-oxidanylpropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol , 5-[6-(1-hydroxy-1-methyl-ethyl)-5,6-dihydrofuro[3,2-f]benzofuran-2-yl]resorcinol
Smiles: Oc1cc(O)cc(c1)c1oc2c(c1)cc1c(c2)O[C@@H](C1)C(O)(C)C
InChi : InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m0/s1
InChi Key : InChIKey=HMTMYIWMPJSCAZ-SFHVURJKSA-N
PubChem ID : 14539883
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.519370
Hydrogen bond donor count : 3 Electric dipole moment : 1.837
XLogP : 1.851 VDW volume : 280.550254
Molecular weight : 326.115424 HOMO-LUMO gap : 7.664000
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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