Chemical Compound

Dicaffeoyl quinic acid

CAS Registry Number 2450-53-5
Dicaffeoyl quinic acid chemical structure
Primary Record

Dicaffeoyl quinic acid

In stock
3,757 g
Purity
98.4 %
CAS
2450-53-5

Compound Identifiers & Properties

CAS
2450-53-5
PubChem CID
13604687
SMILES
C1C(CC(C(C1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
Canonical SMILES
O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O

Names & Synonyms

  • Dicaffeoyl quinic acid
  • Isochlorogenic acid A
  • RefChem:1083401
  • 3,5-Dicaffeoylquinic acid
  • CHEMBL4579886
  • 3,5-Di-O-caffeoylquinic acid
  • 3,5-Dicaffeoyl-epi-quinic acid
  • SCHEMBL12410527
  • SCHEMBL23987356
  • KRZBCHWVBQOTNZ-FCXRPNKRSA-N
  • EX-A4055
  • BDBM50528375
  • PD012056
  • J924.121C
  • J1.012.714I
  • 2450-53-5
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  • ((1s,3r,4r,5s)-3,5-bis(((e)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid)
  • 3,5-bis(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid
  • 3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
  • 3,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
  • 3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid
  • 3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
  • 3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid
  • 879305-14-3