|
Menu

COCONUT Compound

Sakuranetin

CNP0163749.1 · C16H14O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameSakuranetin
IUPAC Name(2~{S})-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
COCONUT IDCNP0163749.1
CAS2957-21-3
InChIKeyDJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChIInChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILESCOC1=CC(O)=C2C(=O)C[C@@H](C3=CC=C(O)C=C3)OC2=C1

Properties

Molecular FormulaC16H14O5
Molecular Weight286.28
Exact Mass286.08412
Log P (ALogP)2.81
TPSA75.99
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.89
NP-likeness1.50

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassO-methylated flavonoids

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (107)

  1. 10.1002/BMC.2970
  2. 10.1002/CHIN.200047190
  3. 10.1002/CHIN.200402241
  4. 10.1007/BF00579792
  5. 10.1016/0031-9422(73)85049-6
  6. 10.1016/0031-9422(81)84033-2
  7. 10.1016/0031-9422(81)85107-2
  8. 10.1016/0031-9422(82)83170-1
  9. 10.1016/0031-9422(88)80695-2
  10. 10.1016/0031-9422(88)83027-9
  11. 10.1016/0031-9422(89)80072-X
  12. 10.1016/0031-9422(90)80037-H
  13. 10.1016/0031-9422(90)80181-F
  14. 10.1016/0031-9422(90)80193-K
  15. 10.1016/0031-9422(90)83041-X
  16. 10.1016/0031-9422(90)85035-E
  17. 10.1016/0031-9422(90)85231-4
  18. 10.1016/0031-9422(90)85307-2
  19. 10.1016/0031-9422(90)89063-F
  20. 10.1016/0031-9422(91)83034-I
  21. 10.1016/0031-9422(91)83491-3
  22. 10.1016/0031-9422(91)84215-E
  23. 10.1016/0031-9422(93)85108-4
  24. 10.1016/0031-9422(93)85415-N
  25. 10.1016/0031-9422(95)00299-M
  26. 10.1016/0031-9422(95)00559-5
  27. 10.1016/0031-9422(96)00084-2
  28. 10.1016/0305-1978(89)90096-3
  29. 10.1016/0305-1978(91)90071-7
  30. 10.1016/0305-1978(93)90082-3
  31. 10.1016/0305-1978(95)00080-1
  32. 10.1016/J.BMCL.2010.05.091
  33. 10.1016/J.FOODCHEM.2019.125629
  34. 10.1016/J.JFCA.2006.09.005
  35. 10.1016/J.JHAZMAT.2018.11.065
  36. 10.1016/J.JPBA.2016.01.021
  37. 10.1016/J.PHYTOCHEM.2005.02.007
  38. 10.1016/J.PHYTOCHEM.2009.08.018
  39. 10.1016/J.TETASY.2007.05.006
  40. 10.1016/S0031-9422(00)00121-7

Showing 40 of 107. 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.