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GA29

PubChem CID: 5460028

Connections displayed (default: 10).
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Compound Synonyms GA29, LMPR0104170036
Topological Polar Surface Area 104.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 731.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (1R,2R,5S,8S,9S,10R,13R)-5,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Prediction Hob 1.0
Xlogp 0.2
Molecular Formula C19H24O6
Prediction Swissadme 1.0
Inchi Key BKBYHSYZKIAJDA-HXBCXQFVSA-N
Fcsp3 0.7894736842105263
Logs -3.042
Rotatable Bond Count 1.0
Logd -0.329
Compound Name GA29
Prediction Hob Swissadme 1.0
Exact Mass 348.157
Formal Charge 0.0
Monoisotopic Mass 348.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 348.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Esol -2.0789490000000006
Inchi InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16?,17+,18+,19-/m1/s1
Smiles CC12C[C@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Sibirica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Betula Mandshurica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dalea Purpurea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Dioscorea Purpurea (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Fraxinus Mandshurica (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Fritillaria Ebeiensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Galega Purpurea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Ipomoea Aquatica (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Ipomoea Arachnosperma (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Ipomoea Argyrophylla (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Ipomoea Asarifolia (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Ipomoea Cairica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Ipomoea Campanulata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Ipomoea Cheirophylla (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Ipomoea Coccinea (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Ipomoea Coptica (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Ipomoea Cristulata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Ipomoea Cymosa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Ipomoea Dasysperma (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Ipomoea Dichroa (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Ipomoea Digitata (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Ipomoea Dumosa (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Ipomoea Eriocarpa (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Ipomoea Fistulosa (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Ipomoea Hederacea (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Ipomoea Hederifolia (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Ipomoea Hispida (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Ipomoea Illustris (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Ipomoea Involucrata (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Ipomoea Marginata (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Ipomoea Mauritiana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Ipomoea Maxima (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Ipomoea Obscura (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Ipomoea Pes-Caprae (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Ipomoea Petaloidea (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Ipomoea Purga (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Ipomoea Quamoclit (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Ipomoea Reniformis (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Ipomoea Sepiaria (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Ipomoea Sindica (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Ipomoea Staphylina (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Ipomoea Tricolor (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Ipomoea Tridentata (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Ipomoea Turbinata (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Ipomoea Turpethum (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Ipomoea Uniflora (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Ipomoea Vitifolia (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Juglans Mandshurica (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Licaria Armeniaca (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Neonauclea Purpurea (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Persicaria Sibirica (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Polygala Sibirica (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 81. Outgoing r'ship FOUND_IN to/from Prunus Avium (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Prunus Cerasoides (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Prunus Cerasus (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Prunus Ceylanica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Prunus Cornuta (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Prunus Davidiana (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Prunus Humilis (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Prunus Jacquemontii (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Prunus Laurocerasus (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Prunus Lusitanica (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Prunus Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 96. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Prunus Puddum (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Prunus Serotina (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Prunus Serrulata (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 105. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Prunus Venosa (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Prunus Verecunda (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Prunus Yedoensis (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Prunus Zippeliana (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Rhamnus Purpurea (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Roscoea Purpurea (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Sarracenia Purpurea (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Viola Mandshurica (Plant) Rel Props:Reference:
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