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COCONUT Compound

FLAVONE

CNP0216699.0 · C15H10O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameFLAVONE
IUPAC Name2-phenylchromen-4-one
COCONUT IDCNP0216699.0
CAS525-82-6, 11091-19-3
InChIKeyVHBFFQKBGNRLFZ-UHFFFAOYSA-N
InChIInChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
SMILESO=C1C=C(C2=CC=CC=C2)OC2=CC=CC=C12

Properties

Molecular FormulaC15H10O2
Molecular Weight222.24
Exact Mass222.06808
Log P (ALogP)3.46
TPSA30.21
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness0.29

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavonoids

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (29)

  1. 10.1002/CHIN.200505221
  2. 10.1002/HLCA.201100165
  3. 10.1007/S10529-015-1825-1
  4. 10.1007/S11947-012-0877-7
  5. 10.1007/S13197-014-1289-7
  6. 10.1016/0031-9422(85)80028-5
  7. 10.1016/0031-9422(88)83128-5
  8. 10.1016/0378-8741(94)90098-1
  9. 10.1016/J.ARABJC.2013.12.011
  10. 10.1016/J.INDCROP.2018.08.004
  11. 10.1016/J.PHYMED.2006.11.027
  12. 10.1016/J.PHYTOCHEM.2004.06.038
  13. 10.1016/J.PHYTOCHEM.2005.03.024
  14. 10.1016/S0031-9422(00)80845-6
  15. 10.1016/S0031-9422(00)83176-3
  16. 10.1016/j.arabjc.2013.12.011
  17. 10.1021/JF0347160
  18. 10.1021/NP50103A006
  19. 10.1038/SREP32534
  20. 10.1055/S-2006-958030
  21. 10.1071/ch9640975
  22. 10.1111/JIPB.12204
  23. 10.1155/2007/45673
  24. 10.1590/S0102-695X2010000100002
  25. 10.22376/IJPBS.2017.8.3.B691-700
  26. 10.3390/MOLECULES24112053
  27. 10.3390/MOLECULES24244608
  28. 10.4014/JMB.1108.08012
  29. 10.4014/jmb.1108.08012

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.