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1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-

PubChem CID: 10039317

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Compound Synonyms SIBIRIQUINONE A, 723300-08-1, 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-, CHEMBL388964, DTXSID40434623, BDBM50476411, HY-N12739, CS-1048369, G89192
Topological Polar Surface Area 34.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 536.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q99814, n.a.
Iupac Name 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-1,4-dione
Prediction Hob 1.0
Xlogp 4.5
Molecular Formula C19H20O2
Prediction Swissadme 1.0
Inchi Key QLYRTJYMSVNUFC-UHFFFAOYSA-N
Fcsp3 0.3684210526315789
Logs -4.183
Rotatable Bond Count 1.0
Logd 4.321
Compound Name 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
Prediction Hob Swissadme 1.0
Exact Mass 280.146
Formal Charge 0.0
Monoisotopic Mass 280.146
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 280.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.583903971428572
Inchi InChI=1S/C19H20O2/c1-11(2)14-10-16(20)17-12-6-5-9-19(3,4)15(12)8-7-13(17)18(14)21/h5-8,10-11H,9H2,1-4H3
Smiles CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Bupleurum Sibiricum (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Geranium Sibiricum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Polygonatum Sibiricum (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Salvia Aegyptiaca (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Salvia Bowleyana (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Salvia Broussonetii (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Salvia Bulleyana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Salvia Cana (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Salvia Canariensis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Salvia Carduacea (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Salvia Cilicica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Salvia Clevelandii (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Salvia Coccinea (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Salvia Coulteri (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Salvia Cyanescens (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Salvia Dichroa (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Salvia Divaricata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Salvia Dorrii (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Salvia Glutinosa (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Salvia Greggii (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Salvia Hians (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Salvia Horminum (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Salvia Hydrangea (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Salvia Lanigera (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Salvia Lasiantha (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Salvia Lavandulifolia (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Salvia Lavanduloides (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Salvia Lineata (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Salvia Microstegia (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Salvia Mirzayanii (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Salvia Moorcroftiana (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Salvia Mukerjeei (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Salvia Munzii (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Salvia Nubicola (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Salvia Oxyodon (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Salvia Pachyphylla (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Salvia Palaestina (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Salvia Parryi (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Salvia Patens (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Salvia Pisidica (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Salvia Plebeia (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Salvia Polystachya (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Salvia Roborowskii (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Salvia Scalarea (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Salvia Spinosa (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Salvia Splendens (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Salvia Staminea (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Salvia Urolepis (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Salvia Viridis (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Salvia Wiedemannii (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Seseli Sibiricum (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Tanacetum Sibiricum (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Veronicastrum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 81. Outgoing r'ship FOUND_IN to/from Veronicastrum Virginicum (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Xanthium Sibiricum (Plant) Rel Props:Reference:
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