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ScientificNameLabel
mulberrofuran J
PHCD compound ID : 3458
Chemical Names :
mulberrofuran J
Molecular Formula : C34H28O9
Molecular Weight : 580.173332
More Details :
Names & Synonyms: [(1S,2S,6R)-2-[2,6-dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-cyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone , [(1S,2S,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone , [(1S,2S,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone , [(1S,2S,6R)-2-[2,6-bis(oxidanyl)-4-(6-oxidanyl-1-benzofuran-2-yl)phenyl]-6-[2,4-bis(oxidanyl)phenyl]-4-methyl-cyclohex-3-en-1-yl]-[2,4-bis(oxidanyl)phenyl]methanone
Smiles: Oc1ccc(c(c1)O)[C@@H]1CC(=C[C@@H]([C@H]1C(=O)c1ccc(cc1O)O)c1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C
InChi : InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25-,32-/m0/s1
InChi Key : InChIKey=WTGKDESIYCVAOP-CAHKVJEUSA-N
PubChem ID : 10483339
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 8.728011
Hydrogen bond donor count : 7 Electric dipole moment : 6.716
XLogP : 3.251 VDW volume : 507.546344
Molecular weight : 580.173332 HOMO-LUMO gap : 7.808000
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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