3,5-Dicaffeoylquinate (BioCAD00000003909)

plant natural products

Metabolite Card

Formula: C25H24O12 (516.1268)
SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O

Synonyms [en]

3,5-dicaffeoylquinate; isochlorogenic acid A; 3,5-dicaffeoylquinic acid; CJ 4-16-4; 3,5-di-O-caffeoylquinic acid; CJ-4-16-4

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

3,5-Dicaffeoylquinate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000003909). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

3,5-di-O-caffeoyl quinic acid is a carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. It has a role as a metabolite, a hepatoprotective agent and an antineoplastic agent. It is a cyclitol carboxylic acid and a carboxylic ester. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. Isochlorogenic acid A is a natural product found in Farfugium japonicum, Artemisia princeps, and other organisms with data available.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 2450-53-5
  • CAS Registry Number: 879305-14-3
  • CAS Registry Number: 89919-62-0
  • PubChem: 6474310
  • ChEBI: ChEBI:65751
  • HMDB: HMDB30706
  • KEGG: C22991
  • BioCyc: CPD-23313
  • NCBI MeSH: 3,5-dicaffeoylquinic acid
  • MoNA: CCMSLIB00000081754
  • MoNA: CCMSLIB00000081755
  • MoNA: PM016910
  • Metlin: METLIN_87145
  • Coconut NaturalProduct: CNP0225644.1
  • Coconut NaturalProduct: CNP0225644.4

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R13431 2.3.1.324 chlorogenate:chlorogenate 3-O-caffeoyltransferase
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Organism Source

Taxonomy Source

  1. Akebia quinata [ncbi taxid: 13331]
  2. Akebia trifoliata [ncbi taxid: 155132]
  3. Angelica pubescens [ncbi taxid: 312530]
  4. Aralia continentalis [ncbi taxid: 287721]
  5. Arctium lappa [ncbi taxid: 4217]
  6. Artemisia annua L. [ncbi taxid: ]
  7. Artemisia apiacea [ncbi taxid: 262982]
  8. Artemisia argyi [ncbi taxid: 259893]
  9. Artemisia capillaris [ncbi taxid: 265783]
  10. Artemisia iwayomogi [ncbi taxid: 265784]
  11. Artemisia montana [ncbi taxid: 669134]
  12. Artemisia princeps [ncbi taxid: 223870]
  13. Aster tataricus [ncbi taxid: 588669]
  14. Brickellia cavanillesii [ncbi taxid: 1550808]
  15. Centipeda minima [ncbi taxid: 397370]
  16. Chrysanthemum indicum [ncbi taxid: 146995]
  17. Chrysanthemum x morifolium [ncbi taxid: 41568]
  18. Cichorium glandulosum [ncbi taxid: 1405821]
  19. Cichorium intybus [ncbi taxid: 13427]
  20. Cuscuta australis [ncbi taxid: 267555]
  21. Cuscuta chinensis [ncbi taxid: 267557]
  22. Cydonia oblonga [ncbi taxid: 36610]
  23. Daucus carota [ncbi taxid: 4039]
  24. Dipsacus asper [ncbi taxid: 516548]
  25. Dipsacus asperoides [ncbi taxid: 180066]
  26. Erigeron breviscapus [ncbi taxid: 244311]
  27. Erycibe obtusifolia [ncbi taxid: 1603722]
  28. Erycibe schmidtii [ncbi taxid: 2315750]
  29. Eupatorium rebaudianum [ncbi taxid: ]
  30. Gardenia jasminoides [ncbi taxid: 114476]
  31. Herba cichorii [ncbi taxid: ]
  32. Imperata cylindrica var. major [ncbi taxid: 294751]
  33. Ipomoea cairica [ncbi taxid: 129201]
  34. Ipomoea pes-caprae [ncbi taxid: 89656]
  35. Lonicera confusa [ncbi taxid: 370638]
  36. Lonicera fulvotomentosa [ncbi taxid: 643838]
  37. Lonicera hypoglauca [ncbi taxid: 638626]
  38. Lonicera japonica [ncbi taxid: 105884]
  39. Lonicera macranthoides [ncbi taxid: 638627]
  40. Matricaria matricarioides [ncbi taxid: 56017]
  41. Morus alba [ncbi taxid: 3498]
  42. Pyrrosia lingua [ncbi taxid: 187374]
  43. Pyrrosia petiolosa [ncbi taxid: 746522]
  44. Pyrrosia sheareri [ncbi taxid: 746523]
  45. Pyrrosia tricuspis [ncbi taxid: ]
  46. Saussurea involucrata [ncbi taxid: 200489]
  47. Strychnos axillaris [ncbi taxid: 1037789]
  48. Taraxacum borealisinense [ncbi taxid: ]
  49. Taraxacum coreanum [ncbi taxid: 1041103]
  50. Taraxacum mongolicum [ncbi taxid: 90037]
  51. Taraxacum officinale [ncbi taxid: 50225]
  52. Taraxacum platycarpum [ncbi taxid: 170727]
  53. Tithonia diversifolia [ncbi taxid: 684020]
  54. Tussilago farfara [ncbi taxid: 118778]
  55. Vitex negundo [ncbi taxid: 361442]
  56. Xanthium sibiricum [ncbi taxid: 576365]
  57. Xanthium strumarium [ncbi taxid: 318068]
  58. Arctium lappa [ncbi taxid: 4217]
  59. Artemisia annua L. [ncbi taxid: ]
  60. Artemisia apiacea [ncbi taxid: 262982]
  61. Artemisia argyi [ncbi taxid: 259893]
  62. Artemisia capillaris [ncbi taxid: 265783]
  63. Artemisia montana [ncbi taxid: 669134]
  64. Artemisia princeps [ncbi taxid: 223870]
  65. Centipeda minima [ncbi taxid: 397370]
  66. Chrysanthemum x morifolium [ncbi taxid: 41568]
  67. Erigeron breviscapus [ncbi taxid: 244311]
  68. Gardenia jasminoides [ncbi taxid: 114476]
  69. Lonicera confusa [ncbi taxid: 370638]
  70. Lonicera fulvotomentosa [ncbi taxid: 643838]
  71. Lonicera hypoglauca [ncbi taxid: 638626]
  72. Lonicera japonica [ncbi taxid: 105884]
  73. Lonicera macranthoides [ncbi taxid: 638627]
  74. Taraxacum borealisinense [ncbi taxid: ]
  75. Taraxacum coreanum [ncbi taxid: 1041103]
  76. Taraxacum mongolicum [ncbi taxid: 90037]
  77. Taraxacum officinale [ncbi taxid: 50225]
  78. Taraxacum platycarpum [ncbi taxid: 170727]

Pathway Synthetic

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