|
Menu

COCONUT Compound

Scutellarein tetramethyl ether

CNP0133041.0 · C19H18O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameScutellarein tetramethyl ether
IUPAC Name5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0133041.0
CAS1168-42-9
InChIKeyURSUMOWUGDXZHU-UHFFFAOYSA-N
InChIInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
SMILESCOC1=CC=C(C2=CC(=O)C3=C(OC)C(OC)=C(OC)C=C3O2)C=C1

Properties

Molecular FormulaC19H18O6
Molecular Weight342.35
Exact Mass342.11034
Log P (ALogP)3.49
TPSA67.13
H-Bond Donors / Acceptors0 / 6
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.71
NP-likeness0.78

Classification

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

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT
Mentha citrata as “Mentha aquatica var. citrata; Mentha x citrata” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (26)

  1. 10.1002/JSSC.201300794
  2. 10.1007/BF00636017
  3. 10.1016/0031-9422(93)85530-5
  4. 10.1016/J.BMC.2007.01.035
  5. 10.1016/J.JPBA.2019.03.056
  6. 10.1016/J.PHYTOCHEM.2005.02.029
  7. 10.1016/S0031-9422(97)01042-X
  8. 10.1016/S0305-1978(99)00065-4
  9. 10.1016/j.bmc.2007.01.035
  10. 10.1021/NP000607T
  11. 10.1021/acs.jnatprod.6b00759
  12. 10.1021/acs.jnatprod.6b00839
  13. 10.1021/acs.jnatprod.9b01024
  14. 10.1021/jf801103p
  15. 10.1021/jf990176o
  16. 10.1021/np000607t
  17. 10.1055/S-2006-962099
  18. 10.1248/CPB.41.714
  19. 10.1248/CPB.48.1711
  20. 10.1248/CPB.48.433
  21. 10.1248/CPB.49.1356
  22. 10.3390/MOLECULES15031097
  23. 10.3390/MOLECULES22071114
  24. 10.3987/COM-08-S(F)79
  25. 10.4314/TJPR.V16I9.22
  26. 10.4314/tjpr.v16i9.22

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.