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5-Methoxypodophyllotoxin

PubChem CID: 3035544

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Compound Synonyms 5-Methoxypodophyllotoxin, 128443-52-7, (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 6-methoxypodophyllotoxin, 5-methoxy podophyllotoxin, CHEMBL292945, DTXSID00155903, CHEBI:188507, (5R-(5alpha,5abeta,8aalpha,9alpha))-5,8,8a,9-Tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, Q63398578, (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-
Topological Polar Surface Area 102.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 674.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id n.a.
Iupac Name (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Prediction Hob 1.0
Xlogp 2.0
Molecular Formula C23H24O9
Prediction Swissadme 1.0
Inchi Key PDQAOYGENRRPQO-UXDKQJBESA-N
Fcsp3 0.4347826086956521
Logs -3.394
Rotatable Bond Count 5.0
Logd 1.811
Compound Name 5-Methoxypodophyllotoxin
Prediction Hob Swissadme 1.0
Exact Mass 444.142
Formal Charge 0.0
Monoisotopic Mass 444.142
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 444.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.790403200000001
Inchi InChI=1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1
Smiles COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=C(C5=C(C=C24)OCO5)OC)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Nilotica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Annona Atemoya (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Annona Bullata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Annona Cherimolia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Annona Haematantha (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Annona Impressivenia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Annona Montana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Annona Rensoniana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Annona Spinescens (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Annona Stenophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Antigonon Leptopus (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Arisaema Flavum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aristolochia Maxima (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Bauhinia Variegata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Berberis Virescens (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Boerhaavia Diffusa (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Boerhavia Diffusa (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Borerhavia Diffusa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Canscora Diffusa (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Citrus X (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Cucurbita Maxima (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Diospyros Variegata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Ericameria Diffusa (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Erythrina Variegata (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Ficus Maxima (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Fragaria X (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Galium Album (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Galium Aparine (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Galium Asperifolium (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Galium Dasypodum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Galium Elegans (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Galium Glaucum (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Galium Mollugo (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Galium Rivale (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Galium Rotundifolium (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Galium Serpylloides (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Galium Verum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Geigeria Schinzii (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Glauchum Flavum (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Glaucium Flavum (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Hedyotis Diffusa (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Incarvillea Diffusa (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Ipomoea Maxima (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Jurinea Maxima (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Leptopus Cordifolius (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Libocedrus Decurrens (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Libocedrus Plumosa (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Linum Album (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Linum Catharticum (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Linum Crispum (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Linum Perenne (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 63. Outgoing r'ship FOUND_IN to/from Machilus Gamblei (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Machilus Glaucescens (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Machilus Macrantha (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Machilus Odoratissima (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Machilus Robusta (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Machilus Thunbergii (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Machilus Zuihoensis (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Musa Acuminata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Musa Acuminate (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Musa Balbisiana (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Musa Glauca (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Musa Ornata (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Musa Paradisiaca (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Musa Rosacea (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Musa Sapientum (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Musa Superba (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Musa Textilis (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Oldenlandia Diffusa (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Pelargonium X (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Phanera Variegate (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Phragmites Maxima (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Pyrolirion Flavum (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Pyrus X (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Symphytum X (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Tagetes Maxima (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Tamarix Nilotica (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Taxus X (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Tephrosia Apollinea (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Tephrosia Candida (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Tephrosia Falciformis (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Tephrosia Maxima (Plant) Rel Props:Source_db:npass_chem_all
  • 96. Outgoing r'ship FOUND_IN to/from Tephrosia Pumila (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Tephrosia Spinosa (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Tephrosia Uniflora (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Tephrosia Villosa (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Tephrosia Vogelii (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Thalictrum Flavum (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Turnera Diffusa (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Turraea Nilotica (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Vachellia Nilotica (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Viola Diffusa (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Xeromphis Spinosa (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Xeromphis Uliginosa (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Reference:
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