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ScientificNameLabel
morachalcone A
PHCD compound ID : 3457
Chemical Names :
morachalcone A
Molecular Formula : C20H20O5
Molecular Weight : 340.131074
More Details :
Names & Synonyms: (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one , (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one , (E)-3-[2,4-bis(oxidanyl)phenyl]-1-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
Smiles: CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1O)O)C
InChi : InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
InChi Key : InChIKey=NXBYIJSAISXPKJ-WEVVVXLNSA-N
PubChem ID : 9862769
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.217525
Hydrogen bond donor count : 4 Electric dipole moment : 1.923
XLogP : 3 VDW volume : 328.186239
Molecular weight : 340.131074 HOMO-LUMO gap : 8.270000
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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