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COCONUT Compound

L-tyrosine

CNP0116237.1 · C9H11NO3 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-tyrosine
IUPAC Name(2~{S})-2-amino-3-(4-hydroxyphenyl)propanoic acid
COCONUT IDCNP0116237.1
CAS60-18-4, 55520-40-6, 25619-78-7, L-Tyrosine, Free Base - CAS 60-18-4
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
SMILESN[C@@H](CC1=CC=C(O)C=C1)C(=O)O

Properties

Molecular FormulaC9H11NO3
Molecular Weight181.19
Exact Mass181.07389
Log P (ALogP)0.35
TPSA83.55
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness0.88

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
Gloriosa superba as “Gloriosa superba” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (120)

  1. 10.1002/ARDP.19602931105
  2. 10.1002/CHIN.200610214
  3. 10.1002/ELPS.201300646
  4. 10.1002/JSFA.9887
  5. 10.1002/elps.201300019
  6. 10.1007/978-1-4939-8594-4_31
  7. 10.1007/BF00563657
  8. 10.1007/BF00574236
  9. 10.1007/BF00574362
  10. 10.1007/BF00574748
  11. 10.1007/BF00575075
  12. 10.1007/BF00576124
  13. 10.1007/BF00607552
  14. 10.1007/BF00633415
  15. 10.1007/BF02660305
  16. 10.1007/BF02666050
  17. 10.1007/BF02857761
  18. 10.1007/S00216-010-4557-Z
  19. 10.1007/S00425-010-1206-X
  20. 10.1007/S10600-010-9710-6
  21. 10.1007/S11306-016-1051-4
  22. 10.1007/S11306-017-1284-X
  23. 10.1007/S11306-019-1503-8
  24. 10.1016/0008-6215(84)85339-2
  25. 10.1016/0021-9673(93)80301-N
  26. 10.1016/0041-0101(89)90038-X
  27. 10.1016/0305-1978(86)90092-X
  28. 10.1016/0378-8741(88)90011-6
  29. 10.1016/0378-8741(96)01416-X
  30. 10.1016/J.CHROMA.2009.12.024
  31. 10.1016/J.FOODCHEM.2010.12.081
  32. 10.1016/J.FOODCHEM.2019.125649
  33. 10.1016/J.FOODRES.2017.01.014
  34. 10.1016/J.FOODRES.2017.10.005
  35. 10.1016/J.IJFOODMICRO.2013.03.002
  36. 10.1016/J.PHYTOCHEM.2007.10.019
  37. 10.1016/J.PHYTOCHEM.2009.09.018
  38. 10.1016/J.PLAPHY.2018.08.024
  39. 10.1016/S0021-9673(01)86974-0
  40. 10.1016/S0021-9673(01)95373-7

Showing 40 of 120. 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.