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ScientificNameLabel
dideoxyclovamide
PHCD compound ID : 4111
Chemical Names :
dideoxyclovamide
Molecular Formula : C18H17N1O5
Molecular Weight : 327.110673
More Details :
Names & Synonyms: 3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid , 3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid , 3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)acryloyl]amino]propionic acid
Smiles: Oc1ccc(cc1)/C=C/C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
InChi : InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+/t16-/m0/s1
InChi Key : InChIKey=LEEDEKWKJVUWGA-YKXBDCQTSA-N
PubChem ID : 24891365
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.193465
Hydrogen bond donor count : 4 Electric dipole moment : 5.534
XLogP : 0.562 VDW volume : 304.59103
Molecular weight : 327.110673 HOMO-LUMO gap : 8.561000
Herb list :
Refrences & Litretures:
  
570.      Journal:'Food Research International'      Year:'2000'      Volume:'33'      Page:'423'      DOI:''      Title:'Review on polyphenols in Theobroma cacao: changes in composition during the manufacture of chocolate and methodology for identification and quantification'
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