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Theaflavin-3-gallate

chemical compound
ChemicalSubstance type_of_chemical_entity Q7777225
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Theaflavin-3-gallate

Summary

Theaflavin-3-gallate is a type of chemical entity[1]. Theaflavin-3-gallate ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (6 views/month).[2]

Key Facts

  • Theaflavin-3-gallate's instance of is recorded as type of chemical entity[3].
  • Theaflavin-3-gallate's chemical structure is recorded as Theaflavin 3-gallate.svg[4].
  • Theaflavin-3-gallate's CAS Registry Number is recorded as 28543-07-9[5].
  • Theaflavin-3-gallate's canonical SMILES is recorded as O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(O)=C4C(=O)C(O)=CC(=CC43)C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7[6].
  • Theaflavin-3-gallate's InChI is recorded as InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1[7].
  • Theaflavin-3-gallate's InChIKey is recorded as GPLOTACQBREROW-WQLSNUALSA-N[8].
  • Theaflavin-3-gallate's chemical formula is recorded as C₃₆H₂₈O₁₆[9].
  • Theaflavin-3-gallate's subclass of is recorded as [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate[10].
  • Theaflavin-3-gallate's Freebase ID is recorded as /m/02z1ds7[11].
  • Theaflavin-3-gallate's ChemSpider ID is recorded as 17216344[12].
  • Theaflavin-3-gallate's PubChem CID is recorded as 467321[13].
  • Theaflavin-3-gallate's PubChem CID is recorded as 135458102[14].
  • Theaflavin-3-gallate's ChEBI ID is recorded as 140112[15].
  • Theaflavin-3-gallate's ChEBI ID is recorded as 136607[16].
  • Theaflavin-3-gallate's found in taxon is recorded as Camellia sinensis[17].
  • Theaflavin-3-gallate's found in taxon is recorded as Matricaria chamomilla[18].
  • Theaflavin-3-gallate's found in taxon is recorded as Mentha piperita piperita[19].
  • Theaflavin-3-gallate's found in taxon is recorded as Chamomilla recutita[20].
  • Theaflavin-3-gallate's isomeric SMILES is recorded as Oc1cc(cc(O)c1O)C(=O)O[C@@H]2Cc7c(O)cc(O)cc7O[C@@H]2c4cc3\C=C(/C=C(/O)C(=O)c3c(O)c4O)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O[21].
  • Theaflavin-3-gallate's mass is recorded as {'unit': 'Q483261', 'amount': '+716.137734816'}[22].
  • Theaflavin-3-gallate's SureChEMBL ID is recorded as 29350322[23].
  • Theaflavin-3-gallate's SureChEMBL ID is recorded as 19214116[24].
  • Theaflavin-3-gallate's SureChEMBL ID is recorded as 14535256[25].
  • Theaflavin-3-gallate's DSSTox substance ID is recorded as DTXSID30951233[26].
  • Theaflavin-3-gallate's stereoisomer of is recorded as [(2S,3S)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate[27].

Why It Matters

Theaflavin-3-gallate ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (6 views/month).[2]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [3] ↑ . wikidata.org.
  2. [4] ↑ . wikidata.org.
  3. [5] ↑ . CAS Common Chemistry. Retrieved . commonchemistry.cas.org. Provenance: wikidata.org.
  4. [6] ↑ . wikidata.org.
  5. [7] ↑ . PubChem. wikidata.org.
  6. [8] ↑ . PubChem. wikidata.org.
  7. [9] ↑ . PubChem. wikidata.org.
  8. [10] ↑ . wikidata.org.
  9. [11] ↑ . wikidata.org.
  10. [12] ↑ . wikidata.org.
  11. [13] ↑ . wikidata.org.
  12. [14] ↑ . wikidata.org.
  13. [15] ↑ . ChEBI release 2019-10-02. wikidata.org.
  14. [16] ↑ . wikidata.org.
  15. [17] ↑ . Estimation of black tea quality by analysis of chemical composition and colour difference of tea infusions. wikidata.org.
  16. [18] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  17. [19] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  18. [20] ↑ . Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States. wikidata.org.
  19. [21] ↑ . wikidata.org.
  20. [22] ↑ . wikidata.org.
  21. [23] ↑ . wikidata.org.
  22. [24] ↑ . wikidata.org.
  23. [25] ↑ . wikidata.org.
  24. [26] ↑ . wikidata.org.
  25. [27] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

Aggregate / graph-position facts

  1. [2] ↑ . Wikimedia Foundation. dumps.wikimedia.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). Theaflavin-3-gallate. Retrieved May 3, 2026, from https://4ort.xyz/entity/theaflavin-3-gallate
MLA “Theaflavin-3-gallate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/theaflavin-3-gallate.
BibTeX @misc{4ortxyz_theaflavin-3-gallate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Theaflavin-3-gallate}}, year = {2026}, url = {https://4ort.xyz/entity/theaflavin-3-gallate}, note = {Accessed: 2026-05-03}}
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