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ScientificNameLabel
5-feruloylquinic acid
PHCD compound ID : 4167
Chemical Names :
5-feruloylquinic acid
Molecular Formula : C17H20O9
Molecular Weight : 368.110732
More Details :
Names & Synonyms: (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexanecarboxylic acid , (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid , (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid , (1R,3S,4S,5S)-3-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid , (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-cyclohexanecarboxylic acid
Smiles: COc1cc(/C=C/C(=O)O[C@H]2C[C@](O)(C[C@@H]([C@@H]2O)O)C(=O)O)ccc1O
InChi : InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1
InChi Key : InChIKey=RAGZUCNPTLULOL-LWOZFZEPSA-N
PubChem ID : 15901362
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.934953
Hydrogen bond donor count : 5 Electric dipole moment : 6.408
XLogP : -0.808 VDW volume : 330.268568
Molecular weight : 368.110732 HOMO-LUMO gap : 7.935000
Herb list :
Refrences & Litretures:
  
580.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'12453'      DOI:'10.1021/jf203096q'      Title:'Phenolic Composition and Antioxidant Activity of Aqueous Infusions from Capparis spinosa L. and Crithmum maritimum L. before and after Submission to a Two-Step in Vitro Digestion Model'
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