|
Menu

COCONUT Compound

L-phenylalanine

CNP0193965.1 · C9H11NO2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-phenylalanine
IUPAC Name(2~{S})-2-amino-3-phenyl-propanoic acid
COCONUT IDCNP0193965.1
CAS63-91-2, 67675-33-6, 30394-07-1, 25191-15-5
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
SMILESN[C@@H](CC1=CC=CC=C1)C(=O)O

Properties

Molecular FormulaC9H11NO2
Molecular Weight165.19
Exact Mass165.07898
Log P (ALogP)0.64
TPSA63.32
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.69
NP-likeness0.48

Classification

NP PathwayAmino acids and Peptides
NP SuperclassSmall peptides
NP ClassAminoacids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassCarboxylic acids and derivatives
Chemical SubclassAmino acids, peptides, and analogues

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Cestrum nocturnum as “Cestrum nocturnum” in COCONUT

References (79)

  1. 10.1002/CHIN.200331208
  2. 10.1002/ELPS.201300646
  3. 10.1002/PLD3.202
  4. 10.1002/YEA.3015
  5. 10.1002/elps.201300019
  6. 10.1002/yea.3015
  7. 10.1007/BF00576124
  8. 10.1007/S00425-010-1206-X
  9. 10.1007/S10529-014-1584-4
  10. 10.1007/S10600-010-9710-6
  11. 10.1007/S11306-016-1051-4
  12. 10.1007/s10529-014-1584-4
  13. 10.1016/J.FOODCHEM.2010.12.081
  14. 10.1016/J.FOODCHEM.2019.125649
  15. 10.1016/J.IJFOODMICRO.2013.03.002
  16. 10.1016/J.INDCROP.2018.07.060
  17. 10.1016/J.PHYTOCHEM.2007.10.019
  18. 10.1016/J.PHYTOCHEM.2009.01.009
  19. 10.1016/J.PHYTOCHEM.2009.09.018
  20. 10.1016/J.PLAPHY.2018.04.029
  21. 10.1016/J.PLAPHY.2018.08.024
  22. 10.1016/S0031-9422(00)83785-1
  23. 10.1016/S0031-9422(97)00362-2
  24. 10.1016/S0031-9422(98)00754-7
  25. 10.1016/j.foodres.2017.10.005
  26. 10.1021/ACSSYNBIO.8B00158
  27. 10.1021/CB3004226
  28. 10.1021/JF048404O
  29. 10.1021/JF303702J
  30. 10.1021/JF400428T
  31. 10.1021/JF403441T
  32. 10.1021/JF9703314
  33. 10.1021/NP50008A001
  34. 10.1021/NP50126A008
  35. 10.1021/jf101029a
  36. 10.1023/a:1024255208563
  37. 10.1038/MSB.2011.65
  38. 10.1038/NBT.2488
  39. 10.1038/msb.2011.65
  40. 10.1038/nbt.2488

Showing 40 of 79. 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.