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2'-ethenyl-4'-methyl-4'-oxidospiro[1H-indole-3,7'-9-oxa-4-azoniatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one

PubChem CID: 5317545

Connections displayed (default: 10).
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Prediction Swissadme 1.0
Topological Polar Surface Area 56.4
Hydrogen Bond Donor Count 1.0
Inchi Key LNBRLFDEFXKCAW-UHFFFAOYSA-N
Fcsp3 0.55
Rotatable Bond Count 1.0
Heavy Atom Count 25.0
Compound Name 2'-ethenyl-4'-methyl-4'-oxidospiro[1H-indole-3,7'-9-oxa-4-azoniatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Prediction Hob Swissadme 1.0
Exact Mass 338.163
Formal Charge 0.0
Monoisotopic Mass 338.163
Isotope Atom Count 0.0
Molecular Complexity 682.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 338.4
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name 2'-ethenyl-4'-methyl-4'-oxidospiro[1H-indole-3,7'-9-oxa-4-azoniatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -3.0262234
Inchi InChI=1S/C20H22N2O3/c1-3-19-10-22(2,24)16-11-9-25-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)
Smiles C[N+]1(CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C)[O-]
Xlogp 1.2
Defined Bond Stereocenter Count 0.0
Molecular Formula C20H22N2O3

  • 1. Outgoing r'ship FOUND_IN to/from Aristolochia Elegans (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Dalea Elegans (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Desmodium Elegans (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Galium Elegans (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Gelsemium Sempervirens (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Helenium Elegans (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Liatris Elegans (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Lithocarpus Elegans (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Mesua Elegans (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Myricaria Elegans (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Smilax Elegans (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Stephania Elegans (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Thalictrum Elegans (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:
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