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Substance Name: Chicoric acid
RN: 70831-56-0
UNII: S4YY3V8YHD
InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N

Note

  • Inhibits HIV-1 integrase.

Molecular Formula

  • C22-H18-O12

Molecular Weight

  • 474.372
 
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Names and Synonyms

Name of Substance

  • Chicoric acid

Synonyms

  • (R-(R*,R*-(E,E)))-2,3-Bis((3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)butanedioic acid
  • 2,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)butanedioic acid
  • NSC 699173
  • UNII-S4YY3V8YHD

Systematic Names

  • Butanedioic acid, 2,3-bis(((2E)-3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)-, (2R,3R)-
  • Butanedioic acid, 2,3-bis((3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)-, (R-(R*,R*-(E,E)))-

Registry Numbers

CAS Registry Number

  • 70831-56-0

FDA UNII

  • S4YY3V8YHD

System Generated Number

  • 0070831560

Structure Descriptors

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

InChIKey

YDDGKXBLOXEEMN-IABMMNSOSA-N

Smiles

c1(c(cc(\C=C\C(O[C@H]([C@H](C(=O)O)OC(=O)\C=C\c2cc(c(cc2)O)O)C(O)=O)=O)cc1)O)O