|
Menu

COCONUT Compound

Wighteone

CNP0131534.0 · C20H18O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameWighteone
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
COCONUT IDCNP0131534.0
CAS51225-30-0
InChIKeyKIMDVVKVNNSHGZ-UHFFFAOYSA-N
InChIInChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
SMILESCC(C)=CCC1=C(O)C=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C1O

Properties

Molecular FormulaC20H18O5
Molecular Weight338.36
Exact Mass338.11542
Log P (ALogP)4.09
TPSA90.90
H-Bond Donors / Acceptors3 / 5
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness1.85

Classification

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

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (61)

  1. 10.1002/(SICI)1099-1565(199907/08)10:4<198::AID-PCA454>3.0.CO;2-C
  2. 10.1002/(SICI)1099-1573(199602)10:1<13::AID-PTR764>3.0.CO;2-1
  3. 10.1002/MRC.2336
  4. 10.1007/BF01020159
  5. 10.1016/0031-9422(91)80134-M
  6. 10.1016/0031-9422(94)00971-U
  7. 10.1016/0031-9422(95)00029-7
  8. 10.1016/0031-9422(95)00277-E
  9. 10.1016/0031-9422(96)00128-8
  10. 10.1016/0031-9422(96)00138-0
  11. 10.1016/0031-9422(96)89776-7
  12. 10.1016/J.BMC.2017.05.009
  13. 10.1016/J.BMCL.2010.09.077
  14. 10.1016/J.BMCL.2015.07.017
  15. 10.1016/J.CBI.2013.06.020
  16. 10.1016/J.PHYTOCHEM.2004.02.011
  17. 10.1016/S0021-9673(00)91283-4
  18. 10.1016/S0031-9422(00)00441-6
  19. 10.1016/S0031-9422(00)81531-9
  20. 10.1016/S0031-9422(00)84936-5
  21. 10.1016/S0031-9422(00)88921-9
  22. 10.1016/S0031-9422(00)97740-9
  23. 10.1016/S0031-9422(01)00368-5
  24. 10.1016/S0031-9422(02)00202-9
  25. 10.1016/S0031-9422(02)00482-X
  26. 10.1016/S0031-9422(02)00671-4
  27. 10.1016/S0031-9422(96)00841-2
  28. 10.1016/S0031-9422(98)00380-X
  29. 10.1016/j.bmc.2006.09.024
  30. 10.1016/j.bmc.2017.05.009
  31. 10.1016/j.bmcl.2010.09.077
  32. 10.1016/j.bmcl.2015.07.017
  33. 10.1021/NP000406P
  34. 10.1021/NP0101696
  35. 10.1021/NP020365S
  36. 10.1021/NP100896W
  37. 10.1021/NP50102A033
  38. 10.1021/NP900271M
  39. 10.1021/NP980112S
  40. 10.1021/acs.jnatprod.0c00932

Showing 40 of 61. 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.