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COCONUT Compound

L-tryptophan

CNP0167976.1 · C11H12N2O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-tryptophan
IUPAC Name(2~{S})-2-amino-3-(1~{H}-indol-3-yl)propanoic acid
COCONUT IDCNP0167976.1
CAS73-22-3, 80206-30-0, 202406-50-6, 27813-82-7
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
SMILESN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O

Properties

Molecular FormulaC11H12N2O2
Molecular Weight204.23
Exact Mass204.08988
Log P (ALogP)1.12
TPSA79.11
H-Bond Donors / Acceptors3 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness0.39

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
Papaver somniferum as “Papaver somniferum” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha X piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Gloriosa superba as “Gloriosa superba” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (139)

  1. 10.1002/(SICI)1099-1573(1998)12:1+<S138::AID-PTR276>3.0.CO;2-5
  2. 10.1002/CBDV.201000284
  3. 10.1002/CHIN.200407175
  4. 10.1002/ELPS.201300646
  5. 10.1002/HLCA.200890013
  6. 10.1002/YEA.3015
  7. 10.1002/pro.331
  8. 10.1002/yea.3015
  9. 10.1007/978-1-4939-8594-4_31
  10. 10.1007/BF00195339
  11. 10.1007/BF00600846
  12. 10.1007/BF00607552
  13. 10.1007/BF00633415
  14. 10.1007/BF00707067
  15. 10.1007/BF02666050
  16. 10.1007/S00216-010-4557-Z
  17. 10.1007/S00344-014-9431-3
  18. 10.1007/S10600-014-1036-3
  19. 10.1007/S11306-016-1051-4
  20. 10.1007/S11306-017-1284-X
  21. 10.1007/S13205-017-0835-1
  22. 10.1007/s00253-013-5269-z
  23. 10.1007/s12010-013-0659-3
  24. 10.1007/s13205-017-0835-1
  25. 10.1016/0005-2795(68)90030-5
  26. 10.1016/0021-9673(92)85021-K
  27. 10.1016/0031-9422(94)00604-R
  28. 10.1016/0031-9422(95)00321-W
  29. 10.1016/0031-9422(95)00553-6
  30. 10.1016/0041-0101(89)90038-X
  31. 10.1016/0305-1978(86)90092-X
  32. 10.1016/0378-8741(96)01416-X
  33. 10.1016/J.BSE.2007.03.023
  34. 10.1016/J.FOODCHEM.2010.12.081
  35. 10.1016/J.FOODCHEM.2019.125649
  36. 10.1016/J.FOODRES.2017.01.014
  37. 10.1016/J.FOODRES.2017.10.005
  38. 10.1016/J.PHYTOCHEM.2004.01.006
  39. 10.1016/J.PHYTOCHEM.2007.10.019
  40. 10.1016/J.PHYTOCHEM.2008.06.001

Showing 40 of 139. 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.