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Gigantamide A

PubChem CID: 23655945

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Compound Synonyms gigantamide A, (E)-N-[4-(2-hydroxy-4-methyl-5-oxo-2H-pyrrol-1-yl)butyl]-3-phenylprop-2-enamide, (E)-N-(4-(2-hydroxy-4-methyl-5-oxo-2H-pyrrol-1-yl)butyl)-3-phenylprop-2-enamide, CHEMBL249250, 955381-63-2
Topological Polar Surface Area 69.6
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 479.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q04206
Iupac Name (E)-N-[4-(2-hydroxy-4-methyl-5-oxo-2H-pyrrol-1-yl)butyl]-3-phenylprop-2-enamide
Prediction Hob 1.0
Xlogp 1.8
Molecular Formula C18H22N2O3
Prediction Swissadme 1.0
Inchi Key BJWYJZGECNLLCG-MDZDMXLPSA-N
Fcsp3 0.3333333333333333
Logs -3.148
Rotatable Bond Count 7.0
Logd 2.555
Compound Name Gigantamide A
Prediction Hob Swissadme 1.0
Exact Mass 314.163
Formal Charge 0.0
Monoisotopic Mass 314.163
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 314.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -2.8558304782608697
Inchi InChI=1S/C18H22N2O3/c1-14-13-17(22)20(18(14)23)12-6-5-11-19-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3,(H,19,21)/b10-9+
Smiles CC1=CC(N(C1=O)CCCCNC(=O)/C=C/C2=CC=CC=C2)O
Nring 2.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Argentea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Australiensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aglaia Cordata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aglaia Dasyclada (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aglaia Edulis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aglaia Elaeagnoidea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aglaia Elliptica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aglaia Elliptifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aglaia Forbesii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aglaia Formosana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aglaia Foveolata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Aglaia Grandis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aglaia Hiernii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aglaia Lawii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aglaia Laxiflora (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aglaia Leucophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aglaia Meridionalis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aglaia Odoratissima (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aglaia Pirifera (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aglaia Pyramidata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Aglaia Roxburghiana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Aglaia Rubiginosa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Aglaia Spectabilis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Aglaia Tsangii (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Aglaia Urghiana (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Asclepias Gigantea (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Calotropis Gigantea (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Coix Gigantea (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Corydalis Gigantea (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Cuscuta Gigantea (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Cyathea Gigantea (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Impatiens Gigantea (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Mucuna Gigantea (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Myristica Gigantea (Plant) Rel Props:Reference:
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