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7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-6-one, dodecahydro-, [7R-(7alpha,7aalpha,14alpha,14abeta)]-

PubChem CID: 51018055

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Compound Synonyms Spartein-10-one #, CHEBI:81549, YQMWQSMYVPLYDI-ZOBORPQBSA-N, 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-6-one, dodecahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.,14a.beta.)]-, C18158
Topological Polar Surface Area 23.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 356.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1R,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
Prediction Hob 1.0
Xlogp 1.7
Molecular Formula C15H24N2O
Prediction Swissadme 0.0
Inchi Key YQMWQSMYVPLYDI-ZOBORPQBSA-N
Fcsp3 0.9333333333333332
Logs -1.674
Rotatable Bond Count 0.0
Logd 1.987
Compound Name 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-6-one, dodecahydro-, [7R-(7alpha,7aalpha,14alpha,14abeta)]-
Prediction Hob Swissadme 0.0
Exact Mass 248.189
Formal Charge 0.0
Monoisotopic Mass 248.189
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 248.36
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -2.4571939999999994
Inchi InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13+,14-/m1/s1
Smiles C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C(=O)N4[C@H]3CCCC4
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Calocephalus Citreus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Crotalaria Medicaginea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Cytisus Scoparius (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Eria Alba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Eria Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Fritillaria Stenanthera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Genista Pichisermolliana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Kopsia Teoi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Magnolia Coco (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Psychotria St (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Rubus Lambertianus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Sidastrum Burrerense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Striga Lutea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Yucca Recurvifolia (Plant) Rel Props:Source_db:cmaup_ingredients
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