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[(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

PubChem CID: 6604277

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Compound Synonyms CHEMBL1331189, SCHEMBL25042462, NCGC00016520-01, CAS-602-85-7
Topological Polar Surface Area 39.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 394.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id Q03164, Q99714, B2RXH2, P00352, Q16665, P15428, P10635, P08684, Q96KQ7, P05177, O94782, Q99700
Iupac Name [(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Prediction Hob 1.0
Target Id NPT149, NPT48, NPT94, NPT211, NPT151, NPT110, NPT109, NPT208
Xlogp 2.2
Molecular Formula C16H18N2O
Prediction Swissadme 1.0
Inchi Key BIXJFIJYBLJTMK-BMIGLBTASA-N
Fcsp3 0.375
Logs -1.69
Rotatable Bond Count 1.0
Logd 1.617
Compound Name [(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Prediction Hob Swissadme 1.0
Exact Mass 254.142
Formal Charge 0.0
Monoisotopic Mass 254.142
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 254.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.055890915789474
Inchi InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15+/m1/s1
Smiles CN1C[C@@H](C=C2[C@@H]1CC3=CNC4=CC=CC2=C34)CO
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amaranthus Tricolor (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Hardenbergia Violacea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
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  • 6. Outgoing r'ship FOUND_IN to/from Ipomoea Argyrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Ipomoea Asarifolia (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ipomoea Cairica (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Ipomoea Campanulata (Plant) Rel Props:Reference:
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  • 19. Outgoing r'ship FOUND_IN to/from Ipomoea Dichroa (Plant) Rel Props:Reference:
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  • 23. Outgoing r'ship FOUND_IN to/from Ipomoea Fistulosa (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Ipomoea Hederacea (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Ipomoea Hederifolia (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Ipomoea Hispida (Plant) Rel Props:Reference:
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  • 29. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Ipomoea Involucrata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Ipomoea Marginata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Ipomoea Mauritiana (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Ipomoea Maxima (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Ipomoea Obscura (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Ipomoea Pescaprae (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Ipomoea Petaloidea (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Ipomoea Purga (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Ipomoea Quamoclit (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Ipomoea Reniformis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Ipomoea Sepiaria (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Ipomoea Sindica (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Ipomoea Staphylina (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Ipomoea Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Ipomoea Tridentata (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Ipomoea Turbinata (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Ipomoea Turpethum (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Ipomoea Uniflora (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Ipomoea Vitifolia (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Sarcomelicope Argyrophylla (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Schizanthus Tricolor (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Viola Tricolor (Plant) Rel Props:Reference:
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