N-p-Coumaroyltyrosine
PubChem CID: 15825666
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 77201-66-2, N-p-Coumaroyltyrosine, N-Coumaroyltyrosine, NBS8NYY2M5, N-(E)-p-Coumaroyl-L-tyrosine, n-trans-p-coumaroyl-l-tyrosine, CHEMBL4129983, N-trans-p-Coumaroyltyrosine, L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-, L-Tyrosine, N-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-, L-Tyrosine, N-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-, (E)-, N-((2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl)-L-tyrosine, (2S)-3-(4-Hydroxyphenyl)-2-(3-(4-hydroxyphenyl)prop-2-enoylamino)propanoic acid, N-p-Coumaroyltyrosine (~98%), trans-Dideoxyclovamide, N-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-L-tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-L-tyrosine, (E)-N-[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-L-tyrosine, , (-)-n-[4'-hydroxy-(e)-cinnamoyl]-l-tyrosine, UNII-NBS8NYY2M5, CHEBI:181160, BDBM50272457, AKOS040763557, FS-8366, NCGC00385093-01, NS00097271, (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid, NCGC00385093-01_C18H17NO5_L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT3517 |
| Xlogp | 1.4 |
| Molecular Formula | C18H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEEDEKWKJVUWGA-YKXBDCQTSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.19 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.283 |
| Compound Name | N-p-Coumaroyltyrosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.111 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7461336000000003 |
| Inchi | InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+/t16-/m0/s1 |
| Smiles | C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Pseudohuiliense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aconitum Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Alstonia Deplanchei (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Asteriscus Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Baccharis Megapotamica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cacalia Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Centrosema Pascuorum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ceratozamia Fuscoviridis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Citrus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Codium Decorticatum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Critonia Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Erigeron Crispus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Eupatorium Gracile (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Flemingia Congesta (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Haplophyllum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Marrubium Supinum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Metalasia Bolusii (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Orthosphenia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Oxyanthus Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Quercus Dentata (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Relhania Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Senecio Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Senecio Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Solanum Elaeagnifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Stevia Mercedensis (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Strychnos Tabascana (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Styrax Perkinsiae (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Swinglea Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:cmaup_ingredients - 32. Outgoing r'ship
FOUND_INto/from Thuja Standishii (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Verbesina Rupestris (Plant) Rel Props:Source_db:cmaup_ingredients