Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4-Dicaffeoylquinic acid
RN: 251320-68-0
UNII: 50048OZ68I
InChIKey: IYXQRCXQQWUFQV-PSEXTPKNSA-N

Molecular Formula

  • C25-H24-O12

Molecular Weight

  • 516.4526
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,4-Dicaffeoylquinic acid

Synonyms

  • 1,4-Dicaffeoylquinic acid
  • 1,4-Dicaffeylquinic acid
  • 1,4-Dicqa
  • Cyclohexanecarboxylic acid, 1,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,5-dihydroxy-, (1alpha,3R,4alpha,5R)-
  • NSC-91529
  • UNII-50048OZ68I

Registry Numbers

CAS Registry Number

  • 251320-68-0

FDA UNII

  • 50048OZ68I

System Generated Number

  • 0251320680

Structure Descriptors

InChI

1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

InChIKey

IYXQRCXQQWUFQV-PSEXTPKNSA-N

Smiles

O[C@@H]1C[C@@](C[C@@H](O)[C@@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O