Home › Entities › [2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate › amarogentin

amarogentin

chemical compound
Class type of: [2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate Q3613679

Facts

11 properties
Instance of
type of chemical entity
Subclass of
[2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Canonical SMILES
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O
Chemical formula
C₂₉H₃₀O₁₃
Found in taxon
Swertia chirata, Gentiana lutea, Gentiana purpurea, Gentianella nitida, Swertia japonica, Swertia leducii, Swertia mileensis
Has characteristic
bitterness
Has part(s)
carbon, oxygen, hydrogen
Isomeric SMILES
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O
Mass
+586.168641
Physically interacts with
taste receptor type 2
Stereoisomer of
[(2S,3R,4R,5S,6R)-2-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
🏷️ Also known as
en (4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl- 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranoside en amarogentin en sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester es Amarogentina fa اماروژنتین pt amarogencina
🔖 Identifiers · 20
CAS Registry Number
21018-84-8
ChEBI ID
2622
ChEMBL ID
CHEMBL451112
ChemSpider ID
103033
DSSTox substance ID
DTXSID501029787
EC number
639-021-0
ECHA Substance Infocard ID
100.166.688
Freebase ID
/m/0h520xd
InChI
InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
InChIKey
DBOVHQOUSDWAPQ-WTONXPSSSA-N
KEGG ID
C09767
KNApSAcK ID
C00003070
Show all 20 identifiers +8
Microsoft Academic ID (discontinued)
2780215363
Probes And Drugs ID
PD085576
PubChem CID
115149
Reaxys registry number
74677
SPLASH
splash10-004i-0090000000-e367040246ae42730994
SureChEMBL ID
1031187
UNII
5L82GT5I0W
UniChem compound ID
586428

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections
Found in taxon 5
Gentiana lutea, Gentiana purpurea, Swertia japonica, Swertia leducii, Gentianella nitida
Has part(s) 3
hydrogen, oxygen, carbon
Has characteristic 1
bitterness
Press Enter · cited answer in seconds

Summary

amarogentin is a type of chemical entity[1]. amarogentin is a type of [2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate[2].

Key Facts

  • Physically interacts with: taste receptor type 2[3]
  • Canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O[4]
  • Chemical formula: C₂₉H₃₀O₁₃[5]
  • Has part(s): carbon[6], oxygen[7], hydrogen[8]
  • Found in taxon: Swertia chirata[9], Gentiana lutea[10], Gentiana purpurea[11], Gentianella nitida[12], Swertia japonica[13], Swertia leducii[14], Swertia mileensis[15]
  • Has characteristic: bitterness[16]
  • Isomeric SMILES: C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3C@@HOC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)OC@@HOC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O">[17]
  • Mass: 586.168641 dalton[18]
  • Stereoisomer of: [(2S,3R,4R,5S,6R)-2-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate[19]

References

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

Direct Wikidata claims

  1. [3] ↑ . The Molecular Receptive Ranges of Human TAS2R Bitter Taste Receptors. wikidata.org.
  2. [4] ↑ . PubChem. Retrieved . wikidata.org.
  3. [5] ↑ . PubChem. Retrieved . wikidata.org.
  4. [2] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . Unexpected Biosynthetic Precursors of Amarogentin − A Retrobiosynthetic13C NMR Study. wikidata.org.
  9. [10] ↑ . The chemical constituents of fresh Gentian Root. wikidata.org.
  10. [11] ↑ . Preparative On-Line Overpressure Layer Chromatography (OPLC): a New Separation Technique for Natural Products. wikidata.org.
  11. [12] ↑ . A new secoiridoid glucoside, amaronitidin, from the Peruvian folk medicine "Hercampuri" (Gentianella nitida).. wikidata.org.
  12. [13] ↑ . Amarogentin, amaroswerin and four xanthones from hairy root cultures of Swertia japonica. wikidata.org.
  13. [14] ↑ . Secoiridoid glucosides from Swertia mileensis. wikidata.org.
  14. [15] ↑ . Secoiridoid glucosides from Swertia mileensis. wikidata.org.
  15. [16] ↑ . BitterDB. wikidata.org.
  16. [17] ↑ . PubChem. Retrieved . wikidata.org.
  17. [18] ↑ . PubChem. Retrieved . wikidata.org.
  18. [19] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.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). amarogentin. Retrieved November 7, 2026, from https://4ort.xyz/entity/amarogentin
MLA “amarogentin.” 4ort.xyz Knowledge Graph, 4ort.xyz, 7 Nov. 2026, https://4ort.xyz/entity/amarogentin.
BibTeX @misc{4ortxyz_amarogentin_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{amarogentin}}, year = {2026}, url = {https://4ort.xyz/entity/amarogentin}, note = {Accessed: 2026-11-07}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): amarogentin — https://4ort.xyz/entity/amarogentin (retrieved 2026-11-07)

Canonical URL: https://4ort.xyz/entity/amarogentin · Last refreshed:

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

  1. 27w ago · Shuaib-bot bot · 2026-05-02 view diff on Wikidata ↗
    Subclass of → [2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyr
    Found in taxon → Swertia chirata, Gentiana lutea, Gentiana purpurea +1
    Has part(s) → carbon, oxygen, hydrogen
    Mass → 586.168641 dalton
    + 4 other properties edited (see Wikidata diff for full list)
    "Changed [ur] labels, descriptions, aliases and claims"
Live feed via Wikidata EventStreams. New edits appear within minutes of being made on Wikidata.