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COCONUT Compound

Karanjin

CNP0255210.0 · C18H12O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameKaranjin
IUPAC Name3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one
COCONUT IDCNP0255210.0
CAS521-88-0
InChIKeyLKPQNZRGGNOPPU-UHFFFAOYSA-N
InChIInChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
SMILESCOC1=C(C2=CC=CC=C2)OC2=C(C=CC3=C2C=CO3)C1=O

Properties

Molecular FormulaC18H12O4
Molecular Weight292.29
Exact Mass292.07356
Log P (ALogP)4.21
TPSA52.58
H-Bond Donors / Acceptors0 / 4
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.55
NP-likeness0.84

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavones

Reported in GR-MAPs Plants

Tephrosia purpurea as “Tephrosia Purpurea” in COCONUT

References (33)

  1. 10.1002/CHIN.200516190
  2. 10.1002/CHIN.200548198
  3. 10.1002/JPS.3080141203
  4. 10.1007/978-1-4757-2351-9_13
  5. 10.1007/BF02636360
  6. 10.1016/0031-9422(80)83083-4
  7. 10.1016/0031-9422(82)80177-5
  8. 10.1016/0031-9422(82)83183-X
  9. 10.1016/0031-9422(88)80277-2
  10. 10.1016/0031-9422(91)80130-S
  11. 10.1016/J.BMCL.2014.11.015
  12. 10.1016/J.BMCL.2015.01.009
  13. 10.1016/J.CCLET.2010.03.021
  14. 10.1016/J.JEP.2008.05.008
  15. 10.1016/J.PHYTOCHEM.2003.09.011
  16. 10.1016/J.PHYTOCHEM.2006.03.019
  17. 10.1016/J.PHYTOCHEM.2006.05.016
  18. 10.1016/J.PHYTOCHEM.2018.02.005
  19. 10.1016/S0031-9422(00)00300-9
  20. 10.1016/S0031-9422(00)80118-1
  21. 10.1016/j.bmc.2009.05.051
  22. 10.1016/j.bmcl.2014.11.015
  23. 10.1016/j.bmcl.2015.01.009
  24. 10.1016/j.phytochem.2003.09.011
  25. 10.1021/NP50030A020
  26. 10.1039/JR9630000163
  27. 10.1071/ch9520754
  28. 10.1080/10575630290033114
  29. 10.1211/JPP.61.02.0017
  30. 10.1211/jpp/61.02.0017
  31. 10.1248/CPB.39.1473
  32. 10.1248/CPB.51.187
  33. 10.3109/13880208309070608

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.