|
Menu

COCONUT Compound

quercetin

CNP0103504.0 · C15H10O7 · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL6

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namequercetin
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
COCONUT IDCNP0103504.0
CAS117-39-5, 74893-81-5, BRD-K97399794-335-03-1
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILESO=C1C(O)=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12

Properties

Molecular FormulaC15H10O7
Molecular Weight302.24
Exact Mass302.04265
Log P (ALogP)1.99
TPSA131.36
H-Bond Donors / Acceptors5 / 7
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.43
NP-likeness1.70

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavones

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis paniculata” in COCONUT
Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Bacopa monnieri as “Bacopa monnieri” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Lagerstroemia speciosa as “Lagerstroemia speciosa” in COCONUT
Tagetes erecta as “Tagetes erecta” in COCONUT
Gymnema sylvester as “Gymnema sylvestre” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Withania somnifera as “Withania somnifera” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Emblica officinalis as “Phyllanthus Emblica” in COCONUT
Oryza sativa as “Oryza Sativa; Oryza sativa cv. Heugjinjubyeo” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (1394)

  1. 10.1002/(SICI)1096-9888(199706)32:6<645::AID-JMS518>3.0.CO;2-P
  2. 10.1002/(SICI)1097-0010(200004)80:5<561::AID-JSFA574>3.0.CO;2-
  3. 10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6
  4. 10.1002/(SICI)1099-1565(199603)7:2<97::AID-PCA286>3.0.CO;2-M
  5. 10.1002/(SICI)1099-1565(199707)8:4<176::AID-PCA351>3.0.CO;2-K
  6. 10.1002/(SICI)1099-1565(199903/04)10:2<69::AID-PCA447>3.0.CO;2-4
  7. 10.1002/(SICI)1099-1573(199605)10:3<202::AID-PTR805>3.0.CO;2-0
  8. 10.1002/(SICI)1099-1573(199605)10:3<260::AID-PTR811>3.0.CO;2-B
  9. 10.1002/(SICI)1099-1573(199702)11:1<22::AID-PTR951>3.0.CO;2-3
  10. 10.1002/(SICI)1099-1573(199812)12:8<562::AID-PTR356>3.0.CO;2-6
  11. 10.1002/(SICI)1099-1573(199908/09)13:5<371::AID-PTR453>3.0.CO;2-L
  12. 10.1002/(SICI)1099-1573(199908/09)13:5<422::AID-PTR462>3.0.CO;2-M
  13. 10.1002/(SICI)1099-1573(199909)13:6<521::AID-PTR535>3.0.CO;2-A
  14. 10.1002/1099-1573(200011)14:7<561::AID-PTR651>3.0.CO;2-H
  15. 10.1002/9780470744307.gat218
  16. 10.1002/ARDP.19552880708
  17. 10.1002/ARDP.19552881102
  18. 10.1002/ARDP.19632961009
  19. 10.1002/ARDP.19662990705
  20. 10.1002/ARDP.19843170808
  21. 10.1002/BMC.4601
  22. 10.1002/CBDV.200690093
  23. 10.1002/CBDV.200900009
  24. 10.1002/CBDV.201000279
  25. 10.1002/CBDV.201100002
  26. 10.1002/CBDV.201100219
  27. 10.1002/CHIN.200052210
  28. 10.1002/CHIN.200117207
  29. 10.1002/CHIN.200317212
  30. 10.1002/CHIN.200322218
  31. 10.1002/CHIN.200329185
  32. 10.1002/CHIN.200342212
  33. 10.1002/CHIN.200352233
  34. 10.1002/CHIN.200451186
  35. 10.1002/CHIN.200539166
  36. 10.1002/CHIN.200624175
  37. 10.1002/CHIN.200828176
  38. 10.1002/CHIN.200833179
  39. 10.1002/CHIN.200846211
  40. 10.1002/CJOC.20010191116

Showing 40 of 1394. 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.