Skip Navigation Links
ScientificNameLabel
calebin-A
PHCD compound ID : 2926
Chemical Names :
calebin-A
Molecular Formula : C21H20O7
Molecular Weight : 384.120903
More Details :
Names & Synonyms: [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester , [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate , [(E)-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester
Smiles: COc1cc(/C=C/C(=O)OCC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
InChi : InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
InChi Key : InChIKey=UYEWRTKHKAVRDI-ASVGJQBISA-N
PubChem ID : 637429
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.808226
Hydrogen bond donor count : 2 Electric dipole moment : 2.955
XLogP : 1.605 VDW volume : 360.426218
Molecular weight : 384.120903 HOMO-LUMO gap : 8.019000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us