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COCONUT Compound

daidzein

CNP0190002.0 · C15H10O4 · View on COCONUT ↗

2D Structure

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Identifiers

Namedaidzein
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
COCONUT IDCNP0190002.0
CAS486-66-8
InChIKeyZQSIJRDFPHDXIC-UHFFFAOYSA-N
InChIInChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILESO=C1C(C2=CC=C(O)C=C2)=COC2=CC(O)=CC=C12

Properties

Molecular FormulaC15H10O4
Molecular Weight254.24
Exact Mass254.05791
Log P (ALogP)2.87
TPSA70.67
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness0.83

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassIsoflav-2-enes

Reported in GR-MAPs Plants

Matricaria chamomilla as “Chamomilla recutita” in COCONUT

References (176)

  1. 10.1002/(SICI)1099-1565(199707)8:4<176::AID-PCA351>3.0.CO;2-K
  2. 10.1002/(SICI)1099-1573(199903)13:2<163::AID-PTR405>3.0.CO;2-
  3. 10.1002/9780470744307.gat218
  4. 10.1002/CHIN.200434239
  5. 10.1002/HLCA.200890108
  6. 10.1002/HLCA.201000250
  7. 10.1002/JCCS.199800035
  8. 10.1002/JCCS.200400210
  9. 10.1002/JLAC.19666920122
  10. 10.1002/JPS.2600640504
  11. 10.1002/JSSC.200600289
  12. 10.1002/PTR.2327
  13. 10.1002/food.19880321030
  14. 10.1006/JFCA.2000.0948
  15. 10.1007/BF00564927
  16. 10.1007/BF00574751
  17. 10.1007/BF00575726
  18. 10.1007/BF00629810
  19. 10.1007/BF00629811
  20. 10.1007/BF00633405
  21. 10.1007/BF01374033
  22. 10.1007/BF02980155
  23. 10.1007/S00284-018-1517-X
  24. 10.1007/S00580-015-2192-Y
  25. 10.1007/S10600-009-9248-7
  26. 10.1007/S11418-010-0407-8
  27. 10.1007/S12272-010-0805-1
  28. 10.1007/S13197-014-1289-7
  29. 10.1007/s00284-018-1517-x
  30. 10.1007/s10295-016-1800-4
  31. 10.1007/s12640-012-9328-5
  32. 10.1016/0002-8223(94)91939-9
  33. 10.1016/0031-9422(75)83053-6
  34. 10.1016/0031-9422(80)83035-4
  35. 10.1016/0031-9422(80)85139-9
  36. 10.1016/0031-9422(83)80013-2
  37. 10.1016/0031-9422(88)80628-9
  38. 10.1016/0031-9422(96)00138-0
  39. 10.1016/0098-8472(85)90006-1
  40. 10.1016/0098-8472(86)90054-7

Showing 40 of 176. 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.