|
Menu

COCONUT Compound

5-Hydroxy-3,6,7,4'-tetramethoxyflavone

CNP0294939.0 · C19H18O7 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name5-Hydroxy-3,6,7,4'-tetramethoxyflavone
IUPAC Name5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0294939.0
CAS14787-34-9
InChIKeyADNCDMHZHONBRR-UHFFFAOYSA-N
InChIInChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)17-19(25-4)16(21)14-12(26-17)9-13(23-2)18(24-3)15(14)20/h5-9,20H,1-4H3
SMILESCOC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2)C=C1

Properties

Molecular FormulaC19H18O7
Molecular Weight358.35
Exact Mass358.10525
Log P (ALogP)3.20
TPSA87.36
H-Bond Donors / Acceptors1 / 7
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.75
NP-likeness1.02

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia Annua; Artemisia annua L.” in COCONUT

References (39)

  1. 10.1002/CHIN.200547198
  2. 10.1002/JPS.2600641119
  3. 10.1002/jps.2600641119
  4. 10.1007/S10600-007-0082-5
  5. 10.1016/0031-9422(83)80234-9
  6. 10.1016/0031-9422(89)85047-2
  7. 10.1016/0031-9422(92)80117-W
  8. 10.1016/0031-9422(92)80274-I
  9. 10.1016/0031-9422(92)80274-i
  10. 10.1016/0031-9422(92)83156-S
  11. 10.1016/0031-9422(93)00074-P
  12. 10.1016/B978-1-4831-9886-6.50032-2
  13. 10.1016/J.EJMECH.2017.11.071
  14. 10.1016/J.PHYTOCHEM.2007.04.013
  15. 10.1016/J.PHYTOL.2010.08.001
  16. 10.1016/J.PHYTOL.2013.12.008
  17. 10.1016/S0031-9422(00)81848-8
  18. 10.1016/S0031-9422(00)84507-0
  19. 10.1016/S0031-9422(03)00207-3
  20. 10.1016/S0031-9422(96)00521-3
  21. 10.1016/S0305-1978(98)00112-4
  22. 10.1016/j.ejmech.2017.11.071
  23. 10.1016/j.phytol.2010.08.001
  24. 10.1016/s0031-9422(00)83141-6
  25. 10.1021/NP050447R
  26. 10.1021/NP060428X
  27. 10.1021/NP070076+
  28. 10.1021/NP200932K
  29. 10.1021/np060428x
  30. 10.1021/np200932k
  31. 10.1055/S-2006-958010
  32. 10.1055/s-2006-958010
  33. 10.1071/CH9662133
  34. 10.1248/CPB.50.515
  35. 10.1248/CPB.57.1132
  36. 10.1515/ZNC-1985-5-607
  37. 10.1515/ZNC-1994-5-618
  38. 10.1515/ZNC-2008-5-611
  39. 10.1515/znc-2008-5-611

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.