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(6R,6aS,8S,9S,11S)-5,6a,7,8,9,11-Hexahydro-9-methoxy-6,11-methano-6H-benzo(b)-1,3-benzodioxolo(5,6-e)azepin-8-ol

PubChem CID: 11087935

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Compound Synonyms Montanine, 642-52-4, (-)-Montanine, (1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol, (6R,6aS,8S,9S,11S)-5,6a,7,8,9,11-Hexahydro-9-methoxy-6,11-methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepin-8-ol, (6R,6aS,8S,9S,11S)-5,6a,7,8,9,11-Hexahydro-9-methoxy-6,11-methano-6H-benzo(b)-1,3-benzodioxolo(5,6-e)azepin-8-ol, Compound NP-016462, SCHEMBL812255, CHEMBL1221863, DTXSID801107687, BDBM50190649, AKOS040738613, FM63208
Prediction Swissadme 1.0
Topological Polar Surface Area 51.2
Hydrogen Bond Donor Count 1.0
Inchi Key MKYLOMHWHWEFCT-AJNGGQMLSA-N
Fcsp3 0.5294117647058824
Rotatable Bond Count 1.0
Heavy Atom Count 22.0
Compound Name (6R,6aS,8S,9S,11S)-5,6a,7,8,9,11-Hexahydro-9-methoxy-6,11-methano-6H-benzo(b)-1,3-benzodioxolo(5,6-e)azepin-8-ol
Prediction Hob Swissadme 1.0
Exact Mass 301.131
Formal Charge 0.0
Monoisotopic Mass 301.131
Isotope Atom Count 0.0
Molecular Complexity 495.0
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 301.34
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Uniprot Id O42275, P81908
Defined Atom Stereocenter Count 4.0
Iupac Name (1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -2.209538581818182
Inchi InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15-/m0/s1
Smiles CO[C@H]1C=C2[C@H](C[C@@H]1O)N3C[C@H]2C4=CC5=C(C=C4C3)OCO5
Xlogp 0.6
Defined Bond Stereocenter Count 0.0
Molecular Formula C17H19NO4

  • 1. Outgoing r'ship FOUND_IN to/from Aerva Wightii (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Alstonia Yunnanensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Arenga Wightii (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Atalantia Wightii (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Cassia Glauca (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Cassine Glauca (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Chrysobalanus Icaco (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Cinnamomum Wightii (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Citrus Glauca (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Combretum Yunnanensis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Commiphora Abyssinica (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Commiphora Agallocha (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Commiphora Berryi (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Commiphora Caudata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Commiphora Confusa (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Commiphora Kua (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Commiphora Mukul (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Commiphora Myrrha (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Commiphora Ornifolia (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Commiphora Parvifolia (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Commiphora Sphaerocarpa (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Commiphora Stocksiana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Commiphora Urghii (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Commiphora Wightii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Connarus Wightii (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Erica Glauca (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Erythrina Glauca (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Eupatorium Argentinum (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Fagus Crenata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Fagus Fusca (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Fagus Grandifolia (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Fagus Sylvatica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Flindersia Australis (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Flindersia Brayleyana (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Flindersia Collina (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Flindersia Xanthoxyla (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Galphimia Glauca (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Gaultheria Yunnanensis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Gleichenia Glauca (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Gnidia Glauca (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Goniothalamus Wightii (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Hippeastrum Aulicum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Hippeastrum Papilio (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Hippeastrum Puniceum (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Indigofera Wightii (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Isodon Wightii (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Justicia Glauca (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Lagotis Glauca (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Leucaena Glauca (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Lindera Glauca (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Meliosma Wightii (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Michelia Yunnanensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Musa Glauca (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Neonotonia Wightii (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Phoebe Wightii (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Pholidota Yunnanensis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Picea Glauca (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pleione Yunnanensis (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Populus Yunnanensis (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Pycnocycla Glauca (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Quercus Glauca (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Rauvolfia Yunnanensis (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Rhamnus Wightii (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Salvia Aegyptiaca (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Salvia Bowleyana (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Salvia Broussonetii (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Salvia Bulleyana (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Salvia Cana (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Salvia Canariensis (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Salvia Carduacea (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Salvia Cilicica (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Salvia Clevelandii (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Salvia Coccinea (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Salvia Coulteri (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Salvia Cyanescens (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Salvia Dichroa (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Salvia Divaricata (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Salvia Dorrii (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Salvia Glutinosa (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Salvia Greggii (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Salvia Hians (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Salvia Horminum (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Salvia Hydrangea (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Salvia Lanigera (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Salvia Lasiantha (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Salvia Lavandulifolia (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Salvia Lavanduloides (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Salvia Lineata (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Salvia Microstegia (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Salvia Mirzayanii (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Salvia Moorcroftiana (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Salvia Mukerjeei (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Salvia Munzii (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Salvia Nubicola (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Salvia Oxyodon (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Salvia Pachyphylla (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Salvia Palaestina (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Salvia Parryi (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Salvia Patens (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Salvia Pisidica (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Salvia Plebeia (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Salvia Polystachya (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Salvia Roborowskii (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Salvia Scalarea (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Salvia Spinosa (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Salvia Splendens (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Salvia Staminea (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Salvia Urolepis (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Salvia Viridis (Plant) Rel Props:Reference:
  • 145. Outgoing r'ship FOUND_IN to/from Salvia Wiedemannii (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 149. Outgoing r'ship FOUND_IN to/from Sarcomelicope Glauca (Plant) Rel Props:Reference:
  • 150. Outgoing r'ship FOUND_IN to/from Setaria Glauca (Plant) Rel Props:Reference:
  • 151. Outgoing r'ship FOUND_IN to/from Simarouba Glauca (Plant) Rel Props:Reference:
  • 152. Outgoing r'ship FOUND_IN to/from Sinodielsia Yunnanensis (Plant) Rel Props:Reference:
  • 153. Outgoing r'ship FOUND_IN to/from Smilax Wightii (Plant) Rel Props:Reference:
  • 154. Outgoing r'ship FOUND_IN to/from Sophora Glauca (Plant) Rel Props:Reference:
  • 155. Outgoing r'ship FOUND_IN to/from Sophora Wightii (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Stephania Wightii (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Tetradenia Glauca (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Torreya Fargesii (Plant) Rel Props:Reference:
  • 159. Outgoing r'ship FOUND_IN to/from Torreya Yunnanensis (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Youngia Glauca (Plant) Rel Props:Reference:
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