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11,12-Dimethoxy-6,8,9,15-tetrahydro[1,3]benzodioxolo[4,5-c]benzo[g]azecin-14(7H)-one

PubChem CID: 371229

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Compound Synonyms NSC645287, CHEMBL2000522, NSC-645287, 11,12-Dimethoxy-6,8,9,15-tetrahydro[1,3]benzodioxolo[4,5-c]benzo[g]azecin-14(7H)-one, NCI60_015427
Topological Polar Surface Area 66.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 501.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,7-dimethoxy-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaen-3-one
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C20H21NO5
Prediction Swissadme 1.0
Inchi Key WIILRXFCYJMJTC-UHFFFAOYSA-N
Fcsp3 0.35
Logs -3.535
Rotatable Bond Count 2.0
Logd 2.507
Compound Name 11,12-Dimethoxy-6,8,9,15-tetrahydro[1,3]benzodioxolo[4,5-c]benzo[g]azecin-14(7H)-one
Prediction Hob Swissadme 1.0
Exact Mass 355.142
Formal Charge 0.0
Monoisotopic Mass 355.142
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 355.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.7964564615384626
Inchi InChI=1S/C20H21NO5/c1-23-18-8-13-5-6-21-10-15-12(3-4-17-20(15)26-11-25-17)7-16(22)14(13)9-19(18)24-2/h3-4,8-9,21H,5-7,10-11H2,1-2H3
Smiles COC1=C(C=C2C(=C1)CCNCC3=C(CC2=O)C=CC4=C3OCO4)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Argemone Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Fumaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Fumaria Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Lamprocapnos Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Thalictrum Atriplex (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Thalictrum Faberi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Thalictrum Foliolosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Thalictrum Glandulosissimum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Thalictrum Microgynum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Thalictrum Minus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Thalictrum Petaloideum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Thalictrum Simplex (Plant) Rel Props:Source_db:cmaup_ingredients
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