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ScientificNameLabel
Chicoric
PHCD compound ID : 1999
Chemical Names :
chicoric acid , Dicaffeoyl meso-tartaric acid , di-E-caffeoyl-meso-tartaric acid , Dicaffeoyltartaric acid , Chicoric
Molecular Formula : C22H18O12
Molecular Weight : 474.079826
More Details :
Names & Synonyms: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid , (2R,3R)-2,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid , (2R,3R)-2,3-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]butanedioic acid , (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic acid
Smiles: O=C(O[C@H]([C@H](C(=O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChi Key : InChIKey=YDDGKXBLOXEEMN-IABMMNSOSA-N
PubChem ID : 5281764
Rotatable bond count : 11 Rule of five : 3
Hydrogen bond acceptor count : 12 Ionization potential : 9.237164
Hydrogen bond donor count : 6 Electric dipole moment : 3.389
XLogP : 1.178 VDW volume : 416.400419
Molecular weight : 474.079826 HOMO-LUMO gap : 7.933000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
333.      Journal:'International Journal of Food Microbiology'      Year:'2012'      Volume:'153'      Page:'21'      DOI:'10.1016/j.ijfoodmicro.2011.10.010'      Title:'Effect of Equisetum arvense and Stevia rebaudiana extracts on growth and mycotoxin production by Aspergillus flavus and Fusarium verticillioides in maize seeds as affected by water activity'
334.      Journal:'Molecules'      Year:'2008'      Volume:'13'      Page:'1455'      DOI:'10.3390/molecules13071455'      Title:'Phenolic Compounds in Field Horsetail (Equisetum arvense L.) as Natural Antioxidants'
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
607.      Journal:'Chemistry of Natural Compounds'      Year:'2007'      Volume:'43'      Page:'239'      DOI:''      Title:'CHEMICAL COMPOSITION OF Cynara scolymus LEAVES'
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