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Substance Name: 3,4-Di-O-galloyl-5-O-digalloylquinic acid
RN: 123134-20-3
InChIKey: OFTCZZCLDWTQNJ-JUUXLJTDSA-N

Note

  • Inhibits HIV growth; DNA polymerase inhibitor.

Classification Codes

  • Enzyme Inhibitors
  • Nucleic Acid Synthesis Inhibitors

Molecular Formula

  • C35-H28-O22

Molecular Weight

  • 800.584
 
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Names and Synonyms

Name of Substance

  • 3,4-Di-O-galloyl-5-O-digalloylquinic acid

Synonym

  • 3,4,5,5-Tetragqa

Systematic Name

  • Benzoic acid, 3,5-dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)-, 5-carboxy-5-hydroxy-2,3-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexyl ester, (1R-(1alpha,2alpha,3beta,4alpha))-

Registry Numbers

CAS Registry Number

  • 123134-20-3

System Generated Number

  • 0123134203

Structure Descriptors

InChI

1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1

InChIKey

OFTCZZCLDWTQNJ-JUUXLJTDSA-N

Smiles

c1(c(cc(C(O[C@@H]2C[C@@](C[C@H]([C@@H]2OC(c2cc(O)c(c(c2)O)O)=O)OC(c2cc(O)c(c(c2)O)O)=O)(C(=O)O)O)=O)cc1O)O)OC(c1cc(O)c(c(c1)O)O)=O