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COCONUT Compound

CNP0359222.1

CNP0359222.1 · C14H12O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0359222.1
CAS22139-77-1
InChIKeyYCVPRTHEGLPYPB-VOTSOKGWSA-N
InChIInChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILESOC1=CC(O)=CC(/C=C/C2=CC=CC=C2)=C1

Properties

Molecular FormulaC14H12O2
Molecular Weight212.25
Exact Mass212.08373
Log P (ALogP)3.27
TPSA40.46
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.75
NP-likeness0.58

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassStilbenoids
NP ClassMonomeric stilbenes
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT

References (48)

  1. 10.1002/ECE3.5390
  2. 10.1002/JCCS.200700218
  3. 10.1002/JSSC.200500003
  4. 10.1007/BF00201045
  5. 10.1007/BF00563957
  6. 10.1007/BF00564921
  7. 10.1007/BF00574204
  8. 10.1016/0031-9422(88)80201-2
  9. 10.1016/0031-9422(89)80195-5
  10. 10.1016/0031-9422(91)84129-G
  11. 10.1016/0031-9422(92)90050-Z
  12. 10.1016/J.JBIOTEC.2009.03.013
  13. 10.1016/J.PHYMED.2010.10.005
  14. 10.1016/J.PHYTOCHEM.2003.09.015
  15. 10.1016/J.PHYTOCHEM.2007.07.012
  16. 10.1016/J.PHYTOCHEM.2016.08.011
  17. 10.1016/J.YMBEN.2015.03.011
  18. 10.1016/S0031-9422(00)82789-2
  19. 10.1016/S0031-9422(00)88199-6
  20. 10.1016/S0031-9422(02)00666-0
  21. 10.1016/S0031-9422(98)80083-6
  22. 10.1016/j.jbiotec.2009.03.013
  23. 10.1021/NP0105073
  24. 10.1021/NP0304823
  25. 10.1021/NP030510H
  26. 10.1021/NP0504154
  27. 10.1021/NP070651+
  28. 10.1021/np0105073
  29. 10.1021/np0304823
  30. 10.1055/S-2003-45100
  31. 10.1055/S-2006-941545
  32. 10.1055/S-2006-959451
  33. 10.1055/S-2007-969474
  34. 10.1055/s-2006-941545
  35. 10.1139/B69-143
  36. 10.1246/BCSJ.44.2761
  37. 10.1246/BCSJ.45.2058
  38. 10.1248/CPB.15.768
  39. 10.1248/CPB.43.1558
  40. 10.3891/ACTA.CHEM.SCAND.03-0755

Showing 40 of 48. 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.