3-O-caffeoylquinic acid methyl ester (BioCAD00000537358)

plant natural products microbial natural products

Metabolite Card

Formula: C17H20O9 (368.1107)
SMILES: [C@@]1(C(OC)=O)(C[C@H]([C@H](O)[C@@H](C1)O)OC(=O)\\C=C\\C2=CC(=C(C=C2)O)O)O

Synonyms [en]

3-O-Caffeoylquinic acid methyl ester; methyl chlorogenate; UNII-E6GC3KV7JK; E6GC3KV7JK; Methyl 5-o-caffeoylquinate; Chlorogenic acid methyl ester

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

3-O-caffeoylquinic acid methyl ester. 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: BioCAD00000537358). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

3-O-caffeoylquinic acid methyl ester is a quinic acid. Methyl chlorogenate is a natural product found in Gelasia latifolia, Takhtajaniantha austriaca, and other organisms with data available. See also: Manilkara zapota fruit (part of).

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 114027-38-2
  • CAS Registry Number: 114687-82-0
  • CAS Registry Number: 123372-74-7
  • CAS Registry Number: 123410-65-1
  • CAS Registry Number: 123483-19-2
  • CAS Registry Number: 139402-21-4
  • CAS Registry Number: 29708-87-0
  • CAS Registry Number: 374728-77-5
  • CAS Registry Number: 4963-01-3
  • CAS Registry Number: 857672-34-5
  • PubChem: 6476139
  • ChEBI: ChEBI:145094
  • NCBI MeSH: methyl chlorogenate
  • MoNA: MoNA_0002029
  • MoNA: MoNA_0002030
  • MoNA: MoNA_0002031
  • MoNA: MoNA_0002032
  • MoNA: MoNA_0002033
  • MoNA: MoNA_0002034
  • MoNA: MoNA_0002035
  • MoNA: MoNA_0002036
  • MoNA: MoNA_0002037
  • MoNA: VF-NPL-LTQ002001
  • MoNA: VF-NPL-LTQ002002
  • MoNA: VF-NPL-LTQ002003
  • MoNA: VF-NPL-LTQ002004
  • MoNA: VF-NPL-QEHF005482
  • MoNA: VF-NPL-QEHF005483
  • MoNA: VF-NPL-QEHF005484
  • MoNA: VF-NPL-QEHF005485
  • MoNA: VF-NPL-QEHF005486
  • MoNA: VF-NPL-QEHF005487
  • MoNA: VF-NPL-QEHF005488
  • MoNA: VF-NPL-QEHF005489
  • MoNA: VF-NPL-QEHF005490
  • MoNA: VF-NPL-QEHF005491
  • MoNA: VF-NPL-QEHF005492
  • MoNA: VF-NPL-QEHF005493
  • MoNA: VF-NPL-QEHF005494
  • MoNA: VF-NPL-QEHF005495
  • MoNA: VF-NPL-QEHF005496
  • MoNA: VF-NPL-QTOF008916
  • MoNA: VF-NPL-QTOF008917
  • MoNA: VF-NPL-QTOF008918
  • MoNA: VF-NPL-QTOF008919
  • MoNA: VF-NPL-QTOF008920
  • MoNA: VF-NPL-QTOF008921
  • MoNA: VF-NPL-QTOF008922
  • MoNA: VF-NPL-QTOF008923
  • MoNA: VF-NPL-QTOF008924
  • Coconut NaturalProduct: CNP0085685.1
  • Coconut NaturalProduct: CNP0152351.2
  • Coconut NaturalProduct: CNP0159273.2
  • Coconut NaturalProduct: CNP0168376.1
  • Coconut NaturalProduct: CNP0202266.1
  • Coconut NaturalProduct: CNP0213760.2
  • Coconut NaturalProduct: CNP0222767.1
  • Coconut NaturalProduct: CNP0222767.2
  • Coconut NaturalProduct: CNP0233223.3
  • Coconut NaturalProduct: CNP0244981.1
  • Coconut NaturalProduct: CNP0248645.1
  • Coconut NaturalProduct: CNP0261619.2
  • Coconut NaturalProduct: CNP0261619.4
  • Coconut NaturalProduct: CNP0261619.5
  • Coconut NaturalProduct: CNP0261619.6
  • Coconut NaturalProduct: CNP0276810.2
  • Coconut NaturalProduct: CNP0283914.1
  • Coconut NaturalProduct: CNP0302522.1
  • Coconut NaturalProduct: CNP0302721.1
  • Coconut NaturalProduct: CNP0333166.1
  • Coconut NaturalProduct: CNP0363893.1
  • Coconut NaturalProduct: CNP0372651.0
  • Coconut NaturalProduct: CNP0420443.1
  • Coconut NaturalProduct: CNP0508848.7
  • Coconut NaturalProduct: CNP0557250.1
  • Coconut NaturalProduct: CNP0557250.2
  • Coconut NaturalProduct: CNP0589715.0

Class / Ontology

Metabolic Network
ID EC Number Name
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Organism Source

Taxonomy Source

  1. Daphne genkwa [ncbi taxid: 1477590]
  2. Genista tinctoria [ncbi taxid: 49825]
  3. Glycine max [ncbi taxid: 3847]
  4. Lupinus luteus [ncbi taxid: 3873]
  5. Piptanthus nepalensis [ncbi taxid: 70606]
  6. Sophora japonica [ncbi taxid: ]
  7. Ulex nanus [ncbi taxid: ]
  8. Vitex negundo [ncbi taxid: 361442]
  9. Akebia quinata [ncbi taxid: 13331]
  10. Akebia trifoliata [ncbi taxid: 155132]
  11. Artemisia capillaris [ncbi taxid: 265783]
  12. Lonicera japonica [ncbi taxid: 105884]
  13. Mitragyna hirsuta Havil [ncbi taxid: ]
  14. Mitragyna javanica Koord.et Val.var.microphylla Craib [ncbi taxid: ]
  15. Mitragyna parvifolia [ncbi taxid: 1288021]
  16. Mitragyna speciosa [ncbi taxid: 170351]
  17. Mitragyna speciosa Korth. [ncbi taxid: ]
  18. Uncaria africana [ncbi taxid: 170182]
  19. Uncaria callophylla [ncbi taxid: ]
  20. Uncaria elliptica [ncbi taxid: 1891678]
  21. Uncaria elliptica R.Br.ex G.Don. [ncbi taxid: ]
  22. Uncaria guianensis [ncbi taxid: 170183]
  23. Uncaria hirsuta [ncbi taxid: 714512]
  24. Uncaria homomalla [ncbi taxid: 1442760]
  25. Uncaria homomalla Miq. [ncbi taxid: ]
  26. Uncaria laevigata [ncbi taxid: 1341723]
  27. Uncaria lancifolia [ncbi taxid: 1442761]
  28. Uncaria lanosa [ncbi taxid: 1085515]
  29. Uncaria longiflora [ncbi taxid: ]
  30. Uncaria orientalis [ncbi taxid: ]
  31. Uncaria scandens [ncbi taxid: 1442762]
  32. Uncaria sessilifructus [ncbi taxid: 714514]
  33. Uncaria tomentosa [ncbi taxid: 128375]
  34. Uncaria veluntina [ncbi taxid: ]
  35. Prismatomeris tetrandra [ncbi taxid: 110690]
  36. Ambrosia artemisioides [ncbi taxid: 2067507]
  37. Humulus scandens [ncbi taxid: 228586]
  38. Kopsia albiflora [ncbi taxid: ]
  39. Nardostachys chinensis [ncbi taxid: ]
  40. Nardostachys jatamansi [ncbi taxid: 179860]
  41. Ribes sanguineum [ncbi taxid: 175201]
  42. Stachys chinensis [ncbi taxid: 3098919]
  43. Talaromyces avellaneus [ncbi taxid: ]
  44. Nardostachys chinensis [ncbi taxid: ]
  45. Patrinia saniculaefolia [ncbi taxid: ]
  46. Kopsia singapurensis [ncbi taxid: 1751000]
  47. Brintonia discoidea [ncbi taxid: 217573]
  48. Clostridium perfringens [ncbi taxid: 1502]
  49. Kumara disticha [ncbi taxid: 247087]
  50. Solidago nemoralis [ncbi taxid: 471149]
  51. Uncaria homomalla [ncbi taxid: 1442760]
  52. Gelsemium elegans [ncbi taxid: 427660]
  53. Gelsemium elegans Benth. [ncbi taxid: ]
  54. Adina racemosa [ncbi taxid: ]
  55. Akebia quinata [ncbi taxid: 13331]
  56. Akebia trifoliata [ncbi taxid: 155132]
  57. Alangium grisolleoides [ncbi taxid: 616979]
  58. Alchornea cordifolia [ncbi taxid: 316697]
  59. Alexandrium excavatum [ncbi taxid: 39454]
  60. Amomum daniellii [ncbi taxid: ]
  61. Annella reticulata [ncbi taxid: 1053279]
  62. Aplysia parvula [ncbi taxid: 6503]
  63. Arctium lappa [ncbi taxid: 4217]
  64. Artemisia capillaris [ncbi taxid: 265783]
  65. Atalantia wightii [ncbi taxid: ]
  66. Balanophora japonica [ncbi taxid: 1128102]
  67. Bos taurus domesticus GMELIN [ncbi taxid: ]
  68. Brevibacterium linens [ncbi taxid: 1703]
  69. Calcarisporium thermophilum [ncbi taxid: ]
  70. Centaurea bracteata Scop. [ncbi taxid: ]
  71. Chimarrhis turbinata [ncbi taxid: 128292]
  72. Chromodoris lochi [ncbi taxid: 262607]
  73. Corydalis persica [ncbi taxid: ]
  74. Corynanthe pachyceras [ncbi taxid: 170031]
  75. Cota tinctoria [ncbi taxid: 99028]
  76. Cryptocarya alba [ncbi taxid: 136114]
  77. Cynoglossum amabile [ncbi taxid: 354628]
  78. Distylium racemosum [ncbi taxid: 50998]
  79. Eriobotrya japonica [ncbi taxid: 32224]
  80. Erycibe hainanesis [ncbi taxid: ]
  81. Eucommia ulmoides [ncbi taxid: 4392]
  82. Fructus mori [ncbi taxid: ]
  83. Glycosmis pseudoracemosa [ncbi taxid: 159049]
  84. Goniothalamus amuyon [ncbi taxid: 1602035]
  85. Hygrophorus eburneus [ncbi taxid: 104226]
  86. Inula grantioides [ncbi taxid: 2052343]
  87. Juniperus horizontalis [ncbi taxid: 669713]
  88. Lathyrus tingitanus [ncbi taxid: 3862]
  89. Lonicera confusa [ncbi taxid: 370638]
  90. Lonicera fulvotomentosa [ncbi taxid: 643838]
  91. Lonicera hypoglauca [ncbi taxid: 638626]
  92. Lonicera japonica [ncbi taxid: 105884]
  93. Lonicera macranthoides [ncbi taxid: 638627]
  94. Manilkara zapota cv.Tikal [ncbi taxid: ]
  95. Morus alba [ncbi taxid: 3498]
  96. Myroides sp. SM1 [ncbi taxid: ]
  97. Nardostachys jatamansi [ncbi taxid: 179860]
  98. Penicillium sp. SA29 [ncbi taxid: 445450]
  99. Peucedanum oroselinum [ncbi taxid: ]
  100. Phlomis brunneogaleata [ncbi taxid: ]
  101. pimpinella brachycarpa [ncbi taxid: ]
  102. Plectosphaerella cucumerina [ncbi taxid: 40658]
  103. Plectranthus caninus [ncbi taxid: 1162216]
  104. Prunus cerasus [ncbi taxid: 140311]
  105. Rauvolfia salicifolia [ncbi taxid: 1751016]
  106. Rhizoplaca baranowii [ncbi taxid: ]
  107. Salmonella enterica subsp. enterica serovar bovismorbificans [ncbi taxid: 58097]
  108. Sargentodoxa cuneata [ncbi taxid: 50506]
  109. Saussurea medusa [ncbi taxid: 137893]
  110. Sinoadina racemosa [ncbi taxid: 170185]
  111. Spina gleditsiae [ncbi taxid: ]
  112. Streptomyces thermoviolaceus [ncbi taxid: 1952]
  113. Strychnos spinosa [ncbi taxid: 99302]
  114. Tetradium glabrifolium [ncbi taxid: 354522]
  115. Trachelospermum asiaticum var.intermedium [ncbi taxid: ]
  116. Uvaria griffithii [ncbi taxid: 306951]
  117. Vittaria anguste-elongata [ncbi taxid: ]
  118. Zephyranthes sulphurea [ncbi taxid: ]
  119. Acacia aulacocarpa [ncbi taxid: 138511]
  120. Adenia globosa [ncbi taxid: 387507]
  121. Aglaia grandis [ncbi taxid: 306506]
  122. Anaphalis araneosa [ncbi taxid: ]
  123. Anemone flaccida [ncbi taxid: ]
  124. Ardisia neriifolia [ncbi taxid: 2184479]
  125. Artemisia kurramensis [ncbi taxid: 1177124]
  126. Aspidosperma subincanum [ncbi taxid: 2743209]
  127. Bhesa nitidissima [ncbi taxid: ]
  128. Calycanthus floridus [ncbi taxid: 3429]
  129. Catunaregam tomentosa [ncbi taxid: 907773]
  130. Chimarrhis turbinata [ncbi taxid: 128292]
  131. Chrysanthemum sinense [ncbi taxid: ]
  132. Cis punctifer [ncbi taxid: ]
  133. Colletotrichum gloeosporioides [ncbi taxid: 474922]
  134. Coprinopsis atramentaria [ncbi taxid: 71694]
  135. Croton tiglium [ncbi taxid: 497687]
  136. Cryptocarya aschersoniana [ncbi taxid: 1345236]
  137. Daphne feddei [ncbi taxid: 2753873]
  138. Digitalis viridiflora [ncbi taxid: 285840]
  139. Episcia cupreata [ncbi taxid: 168484]
  140. Eucommia ulmoides [ncbi taxid: 4392]
  141. Eupatorium argentinum [ncbi taxid: ]
  142. Guatteria boliviana [ncbi taxid: 343271]
  143. Hydrocotyle sibthorpioides [ncbi taxid: 4049]
  144. Hypericum sikokumontanum [ncbi taxid: 282556]
  145. Ilyonectria destructans [ncbi taxid: 64609]
  146. Impatiens edgeworthii [ncbi taxid: 342012]
  147. Jasonia candicans [ncbi taxid: ]
  148. Juniperus brevifolia [ncbi taxid: 746017]
  149. Liriodendron tulipifera [ncbi taxid: 3415]
  150. Lonicera japonica [ncbi taxid: 105884]
  151. Manilkara zapota [ncbi taxid: 3741]
  152. Neolentinus lepideus [ncbi taxid: 38799]
  153. Ostryopsis davidiana [ncbi taxid: 78607]
  154. Osyris abyssinica [ncbi taxid: ]
  155. Othonna sedifolia [ncbi taxid: 405100]
  156. Pajanelia multijuga [ncbi taxid: ]
  157. Panorpa japonica [ncbi taxid: 75384]
  158. Peritassa compta [ncbi taxid: ]
  159. Polymnia uvedalia [ncbi taxid: ]
  160. Psiadia dentata [ncbi taxid: 1225829]
  161. Pterocarpus officinalis [ncbi taxid: 330896]
  162. Ranzania japonica [ncbi taxid: 63353]
  163. Rhabdonia verticillata [ncbi taxid: 257557]
  164. Rheedia acuminata [ncbi taxid: ]
  165. Rothmannia wittii [ncbi taxid: ]
  166. Saccharopolyspora spinosa [ncbi taxid: 60894]
  167. Solanum aculeatissimum [ncbi taxid: 267265]
  168. Streptomyces setonensis [ncbi taxid: 285486]
  169. Symphyocladia latiuscula [ncbi taxid: 396806]
  170. Tetrapanax papyrifer [ncbi taxid: 46417]
  171. Thymus bashkiriensis [ncbi taxid: ]
  172. Tolypothrix tenuis [ncbi taxid: 457083]
  173. Vernonia lanuginosa [ncbi taxid: ]
  174. Zanthoxylum myriacanthum [ncbi taxid: 1009510]
  175. Hypericum sikokumontanum [ncbi taxid: 282556]
  176. Ostryopsis davidiana [ncbi taxid: 78607]
  177. Osyris abyssinica [ncbi taxid: ]
  178. Panorpa japonica [ncbi taxid: 75384]
  179. Polymnia uvedalia [ncbi taxid: ]
  180. Saccharopolyspora spinosa [ncbi taxid: 60894]
  181. Streptomyces setonensis [ncbi taxid: 285486]
  182. Xanthium strumarium [ncbi taxid: 318068]
  183. Akebia quinata [ncbi taxid: 13331]
  184. Akebia trifoliata [ncbi taxid: 155132]
  185. Arcytophyllum thymifolium [ncbi taxid: 172780]
  186. Artemisia capillaris [ncbi taxid: 265783]
  187. Bidens pilosa [ncbi taxid: 42337]
  188. Hypericum humifusum [ncbi taxid: 626746]
  189. Lonicera japonica [ncbi taxid: 105884]
  190. Ostericum koreanum [ncbi taxid: ]
  191. Saussurea medusa [ncbi taxid: 137893]
  192. Wikstroemia lanceolata [ncbi taxid: ]
  193. Achillea fragrantissima [ncbi taxid: 282738]
  194. Peschiera van-heurckii [ncbi taxid: ]
  195. Acanthothamnus aphyllus [ncbi taxid: 123397]
  196. Achillea magnifica [ncbi taxid: ]
  197. Arnebia decumbens [ncbi taxid: 475885]
  198. Artabotrys uncinatus [ncbi taxid: ]
  199. Berkheya rhapontica [ncbi taxid: 528001]
  200. Bryonopsis laciniosa [ncbi taxid: ]
  201. Cephalotaxus hainanensis [ncbi taxid: 191701]
  202. Cladrastis kentukea [ncbi taxid: 38412]
  203. Clerodendrum cyrtophyllum [ncbi taxid: 222564]
  204. Cortinarius viola [ncbi taxid: ]
  205. Crinum stuhlmannii [ncbi taxid: 414790]
  206. Crotalaria mitchellii [ncbi taxid: 1977595]
  207. Dracaena ombet [ncbi taxid: 1280199]
  208. Ferula gummosa [ncbi taxid: 371349]
  209. Glycosmis puberula [ncbi taxid: 3027331]
  210. Iridaea membranacea [ncbi taxid: ]
  211. Iryanthera polyneura [ncbi taxid: ]
  212. Lissoclinum japonicum [ncbi taxid: ]
  213. Myrica arborea [ncbi taxid: ]
  214. Nigella aristata [ncbi taxid: ]
  215. Otanthus maritimus [ncbi taxid: ]
  216. Polygala aureocauda [ncbi taxid: ]
  217. Polypodium vulgare [ncbi taxid: 58048]
  218. Pseudomonas syringae [ncbi taxid: 317]
  219. Pseudoxandra sclerocarpa [ncbi taxid: ]
  220. Saccharothrix mutabilis subsp. capreolus [ncbi taxid: 66854]
  221. Scrophularia leucoclada [ncbi taxid: 1042512]
  222. Sinularia leptoclados [ncbi taxid: ]
  223. Streptomyces naraensis [ncbi taxid: 68241]
  224. Stypandra imbricata [ncbi taxid: ]
  225. Vincetoxicum hirundinaria [ncbi taxid: 141524]
  226. Daphniphyllum longeracemosum [ncbi taxid: 937822]
  227. Daphniphyllum paxianum [ncbi taxid: 1495517]
  228. Daphniphyllum subverticillatum [ncbi taxid: ]
  229. Excoecaria agallocha [ncbi taxid: 241838]
  230. Agaricus arvensis [ncbi taxid: 34428]
  231. Amburana cearensis [ncbi taxid: 149628]
  232. Andropogon polyneuros [ncbi taxid: ]
  233. Aria pinnatifida [ncbi taxid: ]
  234. Capsicum annuum [ncbi taxid: 4072]
  235. Clivia nobilis [ncbi taxid: 112537]
  236. Fusarium caucasicum [ncbi taxid: 2074992]
  237. Lecanora broccha [ncbi taxid: ]
  238. Leproloma diffusum [ncbi taxid: ]
  239. Maxillaria densa [ncbi taxid: 350204]
  240. Rumex chalepensis [ncbi taxid: 1786032]
  241. Scurrula fusca [ncbi taxid: ]
  242. Senecio alloeophyllus [ncbi taxid: ]
  243. Uncaria [ncbi taxid: 43574]

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