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COCONUT Compound

Hyperoside

CNP0180599.1 · C21H20O12 · View on COCONUT ↗

2D Structure

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Identifiers

NameHyperoside
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
COCONUT IDCNP0180599.1
CAS482-36-0
InChIKeyOVSQVDMCBVZWGM-DTGCRPNFSA-N
InChIInChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12

Properties

Molecular FormulaC21H20O12
Molecular Weight464.38
Exact Mass464.09548
Log P (ALogP)-0.54
TPSA210.51
H-Bond Donors / Acceptors8 / 12
Rotatable Bonds4
Lipinski's Rule of 5 Violations2
QED Drug-likeness0.23
NP-likeness2.16

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavonoid glycosides

Reported in GR-MAPs Plants

Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Gymnema sylvester as “Gymnema sylvestre” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (595)

  1. 10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6
  2. 10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K
  3. 10.1002/(SICI)1099-1573(199702)11:1<22::AID-PTR951>3.0.CO;2-3
  4. 10.1002/(SICI)1099-1573(199705)11:3<240::AID-PTR54>3.0.CO;2-K
  5. 10.1002/(SICI)1099-1573(199705)11:3<260::AID-PTR80>3.0.CO;2-N
  6. 10.1002/(SICI)1099-1573(199812)12:8<562::AID-PTR356>3.0.CO;2-6
  7. 10.1002/(SICI)1099-1573(199908/09)13:5<422::AID-PTR462>3.0.CO;2-M
  8. 10.1002/1099-1565(200007/08)11:4<257::AID-PCA521>3.0.CO;2-A
  9. 10.1002/1099-1573(200011)14:7<501::AID-PTR655>3.0.CO;2-B
  10. 10.1002/ARDP.19552880805
  11. 10.1002/ARDP.19913240207
  12. 10.1002/ARDP.19933260906
  13. 10.1002/ARDP.2503240811
  14. 10.1002/CHIN.200511237
  15. 10.1002/CHIN.200612187
  16. 10.1002/HLCA.200800346
  17. 10.1002/HLCA.201500519
  18. 10.1002/J.1537-2197.1985.TB08343.X
  19. 10.1002/J.1537-2197.1986.TB08521.X
  20. 10.1002/J.1537-2197.1986.TB10902.X
  21. 10.1002/J.1537-2197.1988.TB13465.X
  22. 10.1002/JCCS.199900034
  23. 10.1002/JCCS.201190020
  24. 10.1002/JPS.10057
  25. 10.1002/JPS.2600551210
  26. 10.1002/JPS.3030320706
  27. 10.1002/JSFA.1885
  28. 10.1002/MNFR.200400064
  29. 10.1002/MNFR.200500064
  30. 10.1002/MRC.1034
  31. 10.1002/MRC.2113
  32. 10.1002/MRC.2516
  33. 10.1002/PCA.2800040607
  34. 10.1002/PCA.638
  35. 10.1002/PTR.1513
  36. 10.1002/PTR.1834
  37. 10.1002/PTR.2529
  38. 10.1002/PTR.2650040508
  39. 10.1002/PTR.2650070111
  40. 10.1002/PTR.865

Showing 40 of 595. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.