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7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol

PubChem CID: 162960163

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Topological Polar Surface Area 90.5
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 1120.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
Prediction Hob 0.0
Xlogp 8.3
Molecular Formula C36H32N2O4
Prediction Swissadme 0.0
Inchi Key OVICAAMRDFNGHT-UHFFFAOYSA-N
Fcsp3 0.2222222222222222
Logs -3.213
Rotatable Bond Count 1.0
Logd 5.152
Compound Name 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
Prediction Hob Swissadme 0.0
Exact Mass 556.236
Formal Charge 0.0
Monoisotopic Mass 556.236
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 556.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -8.93759963809524
Inchi InChI=1S/C36H32N2O4/c1-17-15-22-27-19-11-13-35(3,4)41-25(19)10-8-23(27)37-32(22)30(34(17)40)29-28-21-7-9-26-20(12-14-36(5,6)42-26)31(21)38-24(28)16-18(2)33(29)39/h7-16,37-40H,1-6H3
Smiles CC1=CC2=C(C(=C1O)C3=C(C(=CC4=C3C5=C(N4)C6=C(C=C5)OC(C=C6)(C)C)C)O)NC7=C2C8=C(C=C7)OC(C=C8)(C)C
Nring 8.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Bulbine Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cicer Cuneatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Croton Hutchinsonianus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Delphinium Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Griselinia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Gutenbergia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Hyptis Urticoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Monachosorum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Nardia Scalaris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Podocalyx Loranthoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Populus Candicans (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Sarcophyton Infundibuliforme (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Trixis Grisebachii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Yucca Elata (Plant) Rel Props:Source_db:cmaup_ingredients
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