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(R)-1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

PubChem CID: 726885

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Compound Synonyms (R)-1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, 55012-01-6, NSC-65689, NCIStruc1_001364, NCIStruc2_001374, CHEMBL1437753, SCHEMBL13459203, NCI65689, CCG-36719, NCGC00013756, NCGC00013756-02, NCGC00096867-01
Topological Polar Surface Area 62.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 461.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q99714, Q16665, P00352, P15428, P10635, P05177
Iupac Name (6aR)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Prediction Hob 1.0
Target Id NPT149, NPT211, NPT94, NPT151, NPT110, NPT208
Xlogp 2.7
Molecular Formula C19H21NO4
Prediction Swissadme 1.0
Inchi Key LZJRNLRASBVRRX-CYBMUJFWSA-N
Fcsp3 0.3684210526315789
Logs -1.681
Rotatable Bond Count 2.0
Logd 2.762
Compound Name (R)-1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Prediction Hob Swissadme 1.0
Exact Mass 327.147
Formal Charge 0.0
Monoisotopic Mass 327.147
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 327.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.8276056000000005
Inchi InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1
Smiles CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acronychia Laurifolia (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Alnus Glutinosa (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Anogeissus Sericea (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Argyreia Sericea (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Caryopteris Glutinosa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Combretum Albidum (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Dalbergia Sericea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Eumorphia Sericea (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Garrya Laurifolia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Humboldtia Laurifolia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Hydnocarpus Laurifolia (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Litsea Aciculata (Plant) Rel Props:Reference:
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  • 16. Outgoing r'ship FOUND_IN to/from Litsea Glutimosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Litsea Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Litsea Gracilipes (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Litsea Grandis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Litsea Khasiana (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Litsea Konishii (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Litsea Lancifolia (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Litsea Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Litsea Leefeana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Litsea Nitida (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Litsea Polyantha (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Litsea Pulchella (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Litsea Pungens (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Litsea Rotundifolia (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Litsea Salicifolia (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Litsea Sebifera (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Litsea Stocksii (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Litsea Triflora (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Litsea Turfosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Litsea Verticillata (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Litsea Wightiana (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Litsea Zeylanica (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Mimusops Laurifolia (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Mundulea Sericea (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Neolitsea Cassia (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Neolitsea Daibuensis (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Neolitsea Dealbata (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Neolitsea Fischeri (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Neolitsea Pallens (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Neolitsea Pulchella (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Neolitsea Scrobiculata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Neolitsea Sericea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Neolitsea Villosa (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Neolitsea Zeylancia (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Neolitsea Zeylanica (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Nepeta Glutinosa (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Passiflora Laurifolia (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Peumus Boldus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Pluchea Sericea (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Quercus Laurifolia (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Rehmannia Glutinosa (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Rosa Sericea (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Salvia Glutinosa (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Sapindus Laurifolia (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Sassafras Albidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Sassafras Randainense (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Sassafras Tzumu (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Swinglea Glutinosa (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Thomandersia Laurifolia (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Thunbergia Laurifolia (Plant) Rel Props:Reference:
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