Skip Navigation Links
ScientificNameLabel
clovamide
PHCD compound ID : 4110
Chemical Names :
clovamide
Molecular Formula : C18H17N1O7
Molecular Weight : 359.100502
More Details :
Names & Synonyms: (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid , (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid , (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-[[(Z)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]propanoic acid , (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]amino]propionic acid
Smiles: O=C(N[C@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C\c1ccc(c(c1)O)O
InChi : InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3-/t12-/m0/s1
InChi Key : InChIKey=GPZFXSWMDFBRGS-RYBZSIHZSA-N
PubChem ID : 6443790
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 8 Ionization potential : 8.825165
Hydrogen bond donor count : 6 Electric dipole moment : 4.066
XLogP : 1.047 VDW volume : 322.171483
Molecular weight : 359.100502 HOMO-LUMO gap : 8.473000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us