|
Menu

COCONUT Compound

15486-34-7

CNP0115683.0 · C18H16O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name15486-34-7
IUPAC Name5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0115683.0
InChIKeyWSQWAMGRHJQANC-UHFFFAOYSA-N
InChIInChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3
SMILESCOC1=CC=C(C2=C(OC)C(=O)C3=C(O)C=C(OC)C=C3O2)C=C1

Properties

Molecular FormulaC18H16O6
Molecular Weight328.32
Exact Mass328.09469
Log P (ALogP)3.19
TPSA78.13
H-Bond Donors / Acceptors1 / 6
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.79
NP-likeness1.00

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
Emblica officinalis as “Phyllanthus emblica” in COCONUT

References (49)

  1. 10.1002/CBDV.201100002
  2. 10.1002/HLCA.200390259
  3. 10.1007/BF00595086
  4. 10.1007/S00217-018-3188-Z
  5. 10.1016/0031-9422(83)83075-1
  6. 10.1016/0031-9422(86)88035-9
  7. 10.1016/0031-9422(91)84215-E
  8. 10.1016/0031-9422(93)00074-P
  9. 10.1016/0031-9422(95)00269-D
  10. 10.1016/J.EJMECH.2011.03.011
  11. 10.1016/J.EJMECH.2017.11.071
  12. 10.1016/J.EJPHAR.2007.04.001
  13. 10.1016/J.PHYTOCHEM.2007.05.003
  14. 10.1016/J.PHYTOCHEM.2008.09.001
  15. 10.1016/J.PHYTOCHEM.2009.05.011
  16. 10.1016/J.PHYTOL.2010.08.001
  17. 10.1016/S0031-9422(00)00222-3
  18. 10.1016/S0031-9422(00)86815-6
  19. 10.1016/S0031-9422(00)86851-X
  20. 10.1016/S0031-9422(00)89739-3
  21. 10.1016/S0031-9422(00)97427-2
  22. 10.1016/S0031-9422(00)97950-0
  23. 10.1016/S0031-9422(01)00451-4
  24. 10.1016/S0031-9422(02)00666-0
  25. 10.1016/S0031-9422(96)00745-5
  26. 10.1016/S0031-9422(97)00075-7
  27. 10.1016/S0031-9422(97)00738-3
  28. 10.1016/S0031-9422(97)01003-0
  29. 10.1016/S0031-9422(98)00622-0
  30. 10.1016/S0040-4020(01)82170-0
  31. 10.1016/S0305-1978(02)00178-3
  32. 10.1016/S0305-1978(96)00081-6
  33. 10.1016/S0305-1978(99)00045-9
  34. 10.1016/S0367-326X(03)00033-9
  35. 10.1016/S0968-0896(02)00121-9
  36. 10.1016/j.phytol.2010.08.001
  37. 10.1016/j.sajb.2013.11.012
  38. 10.1016/s0305-1978(99)00045-9
  39. 10.1021/ACS.JNATPROD.5B00896
  40. 10.1021/JF990160Y

Showing 40 of 49. 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.