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ScientificNameLabel
mulberrofuran G
PHCD compound ID : 3456
Chemical Names :
mulberrofuran G
Molecular Formula : C34H26O8
Molecular Weight : 562.162768
More Details :
Names & Synonyms:
Smiles: CC1=C[C@H]2c3c(O)cc(cc3O[C@@]3([C@H]2[C@@H](C1)c1ccc(cc1O3)O)c1ccc(cc1O)O)c1oc2c(c1)ccc(c2)O
InChi : InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1
InChi Key : InChIKey=MJJWBJFYYRAYKU-OPKNDJPNSA-N
PubChem ID : 9959532
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.412528
Hydrogen bond donor count : 5 Electric dipole moment : 4.101
XLogP : 3.561 VDW volume : 476.679658
Molecular weight : 562.162768 HOMO-LUMO gap : 7.749000
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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