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N-Coumaroyl-3-hydroxytyrosine

PubChem CID: 68540305

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Compound Synonyms N-Coumaroyl-3-hydroxytyrosine, UNII-48U8WX77YJ, 48U8WX77YJ, 77201-64-0, L-Tyrosine, 3-hydroxy-N-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-, (E)-, L-Tyrosine, 3-hydroxy-N-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-, CHEMBL4127947, (-)-n-[4'-hydroxy-(e)-cinnamoyl]-3-hydroxy-l-tyrosine, (E)-3-Hydroxy-N-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-L-tyrosine (~98%), SCHEMBL3180744, SCHEMBL3713720, DTXSID401156268, BDBM50272442, Q27259179, (E)-3-Hydroxy-N-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-L-tyrosine, 3-Hydroxy-N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-L-tyrosine
Prediction Swissadme 0.0
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 5.0
Inchi Key UUXSHXGLOWJTDV-PXYYCUNGSA-N
Fcsp3 0.1111111111111111
Rotatable Bond Count 6.0
Heavy Atom Count 25.0
Compound Name N-Coumaroyl-3-hydroxytyrosine
Prediction Hob Swissadme 0.0
Exact Mass 343.106
Formal Charge 0.0
Monoisotopic Mass 343.106
Isotope Atom Count 0.0
Molecular Complexity 486.0
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 343.3
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 1.0
Iupac Name (2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Prediction Hob 0.0
Esol -3.609977
Inchi InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)4-8-17(23)19-14(18(24)25)9-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+/t14-/m0/s1
Smiles C1=CC(=CC=C1/C=C/C(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O)O
Xlogp 2.1
Defined Bond Stereocenter Count 1.0
Molecular Formula C18H17NO6

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Alstonia Deplanchei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Asteriscus Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Baccharis Megapotamica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Cacalia Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Centrosema Pascuorum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Ceratozamia Fuscoviridis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Citrus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Codium Decorticatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Critonia Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Erigeron Crispus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Eupatorium Gracile (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Flemingia Congesta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Haplophyllum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Marrubium Supinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Metalasia Bolusii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Orthosphenia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Oxyanthus Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Quercus Dentata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Relhania Pumila (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 27. Outgoing r'ship FOUND_IN to/from Stevia Mercedensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 28. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 29. Outgoing r'ship FOUND_IN to/from Styrax Perkinsiae (Plant) Rel Props:Source_db:cmaup_ingredients
  • 30. Outgoing r'ship FOUND_IN to/from Swinglea Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 31. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Source_db:cmaup_ingredients
  • 32. Outgoing r'ship FOUND_IN to/from Thuja Standishii (Plant) Rel Props:Source_db:cmaup_ingredients
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