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COCONUT Compound

Artemetin

CNP0348920.0 · C20H20O8 · View on COCONUT ↗

2D Structure

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Identifiers

NameArtemetin
IUPAC Name2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one
COCONUT IDCNP0348920.0
CAS479-90-3
InChIKeyRIGYMJVFEJNCKD-UHFFFAOYSA-N
InChIInChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
SMILESCOC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2)C=C1OC

Properties

Molecular FormulaC20H20O8
Molecular Weight388.37
Exact Mass388.11582
Log P (ALogP)3.21
TPSA96.59
H-Bond Donors / Acceptors1 / 8
Rotatable Bonds6
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.69
NP-likeness1.03

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
Vitex negundo as “Vitex negundo” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (98)

  1. 10.1002/CHIN.199516211
  2. 10.1002/JPS.2600641119
  3. 10.1002/PTR.2639
  4. 10.1002/PTR.871
  5. 10.1002/hlca.201200614
  6. 10.1007/BF00236389
  7. 10.1007/BF00565848
  8. 10.1007/BF00579658
  9. 10.1007/BF00596766
  10. 10.1007/S10600-007-0082-5
  11. 10.1007/S10600-011-9920-6
  12. 10.1007/S10600-014-1068-8
  13. 10.1007/S10600-015-1345-1
  14. 10.1016/0031-9422(80)85028-X
  15. 10.1016/0031-9422(80)85124-7
  16. 10.1016/0031-9422(80)85128-4
  17. 10.1016/0031-9422(88)80792-1
  18. 10.1016/0031-9422(89)80084-6
  19. 10.1016/0031-9422(89)85047-2
  20. 10.1016/0031-9422(90)85371-L
  21. 10.1016/0031-9422(91)83681-A
  22. 10.1016/0031-9422(92)80485-W
  23. 10.1016/0031-9422(92)83156-S
  24. 10.1016/0031-9422(94)00785-R
  25. 10.1016/0305-1978(83)90027-3
  26. 10.1016/0305-1978(88)90033-6
  27. 10.1016/0305-1978(88)90071-3
  28. 10.1016/0305-1978(96)88878-8
  29. 10.1016/B978-1-4831-9886-6.50032-2
  30. 10.1016/J.BMC.2011.09.039
  31. 10.1016/J.BMCL.2006.09.051
  32. 10.1016/J.JEP.2011.09.039
  33. 10.1016/J.PHYMED.2006.01.008
  34. 10.1016/J.PHYTOCHEM.2006.02.026
  35. 10.1016/J.PHYTOCHEM.2007.04.013
  36. 10.1016/S0031-9422(00)80267-8
  37. 10.1016/S0031-9422(00)80280-0
  38. 10.1016/S0031-9422(00)81325-4
  39. 10.1016/S0031-9422(00)81506-X
  40. 10.1016/S0031-9422(00)81536-8

Showing 40 of 98. 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.