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7Beta-Hydroxydehydroabietic Acid

PubChem CID: 13370052

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Compound Synonyms 7beta-hydroxydehydroabietic acid, CHEMBL604787, SCHEMBL13923391, (1R,4aS,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CCC1CCCCC12
Np Classifier Class Podocarpane diterpenoids
Deep Smiles OC=O)[C@]C)CCC[C@][C@H]6C[C@H]O)cc6cccc6)CC)C))))))))))C
Heavy Atom Count 23.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2C(C1)CCC1CCCCC12
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 474.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id n.a.
Iupac Name (1R,4aS,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Gsk 4 400 Rule False
Molecular Formula C20H28O3
Scaffold Graph Node Bond Level c1ccc2c(c1)CCC1CCCCC21
Prediction Swissadme 1.0
Inchi Key GPFVBJYXFRIOFB-ONCXSQPRSA-N
Silicos It Class Moderately soluble
Fcsp3 0.65
Logs -3.654
Rotatable Bond Count 2.0
Logd 3.139
Synonyms 7-b-hydroxydehydroabietic acid, 7beta-hydroxydehydroabietic acid
Esol Class Moderately soluble
Functional Groups CC(=O)O, CO
Compound Name 7Beta-Hydroxydehydroabietic Acid
Prediction Hob Swissadme 1.0
Exact Mass 316.204
Formal Charge 0.0
Monoisotopic Mass 316.204
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 316.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.06797767826087
Inchi InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1
Smiles CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3C[C@@H]2O)(C)C(=O)O)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Diterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Abies Balsamea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Abies Bifolia (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Abies Canadensis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Abies Densa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Abies Excelsa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Abies Grandis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Abies Koreana (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Abies Nephrolepis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Abies Nigra (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Abies Nobilis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Abies Pindrow (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Abies Pinsapo (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Abies Spectabilis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Abies Veitchii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Abies Wabbiana (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Abies Webbiana (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Acacia Mollissima (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Achillea Cretica (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Amentotaxus Argotaenia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Amischotolype Mollissima (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Amomum Aculeatum (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Amomum Aromaticum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Amomum Compactum (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Amomum Daniellii (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Amomum Dealbatum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Amomum Kepulaga (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Amomum Kravanh (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Amomum Longiligulare (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Amomum Melegueta (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Amomum Muricarpum (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Amomum Neoaurantiacum (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Amomum Reticulatum (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Amomum Subulatum (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Amomum Sulcatum (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Amomum Testaceum (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Amomum Xanthioides (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Amomum Zambesiacum (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Amomum Zingiber (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Anthemis Cretica (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Arachniodes Dimorphophylla (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Arachniodes Mutica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Aristolochia Mollissima (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Atalantia Buxifolia (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Barleria Buxifolia (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Betula Exilis (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Brugmansia Sanguinea (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Bryonia Cretica (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Castanea Crenata (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Castanea Dentata (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Castanea Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Castanea Sativa (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Castanea Vesca (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788172363130
  • 59. Outgoing r'ship FOUND_IN to/from Cornus Sanguinea (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Coronilla Cretica (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Cotoneaster Buxifolia (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Crataegus Sanguinea (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Cressa Cretica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 64. Outgoing r'ship FOUND_IN to/from Cucumis Angolensis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Diospyros Buxifolia (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Diphasia Angolensis (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Drimia Sanguinea (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Elaichi Amomum (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Eria Alba (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Eria Anomala (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Eria Bractescens (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Eria Floribunda (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Eria Foetida (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Eria Linearifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 76. Outgoing r'ship FOUND_IN to/from Eria Mollis (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Eria Rigida (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Eria Robusta (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Eria Siamensis (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Eria Subsessilis (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Eria Tomentosa (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Fagonia Cretica (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Holmskioldia Sanguinea (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Isoberlinia Angolensis (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Lycoris Sanguinea (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Maba Buxifolia (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Maytenus Buxifolia (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Monodora Angolensis (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Parkia Biglandulosa (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Parkia Clappertoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 92. Outgoing r'ship FOUND_IN to/from Parkia Javanica (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Parkia Roxberghii (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Parkia Timoriana (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Pericopsis Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 96. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Pinus Aristata (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Pinus Armandii (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Pinus Banksiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 100. Outgoing r'ship FOUND_IN to/from Pinus Brutia (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Pinus Bungeana (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Pinus Canariensis (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Pinus Cembra (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Pinus Densiflora (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Pinus Edulis (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Pinus Elliottii (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Pinus Excelsa (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Pinus Flexilis (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Pinus Gerardiana (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Pinus Griffithi (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Pinus Halepensis (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Pinus Heldreichii (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Pinus Kesiya (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Pinus Koraiensis (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Pinus Krempfii (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Pinus Massoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 119. Outgoing r'ship FOUND_IN to/from Pinus Merkusii (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Pinus Monophylla (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Pinus Monticola (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Pinus Mugo (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Pinus Palustris (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Pinus Pumila (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Pinus Radiata (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Pinus Resinosa (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Pinus Rigida (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Pinus Roxburghii (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Pinus Sitchensis (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Pinus Strobus (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17348188
  • 135. Outgoing r'ship FOUND_IN to/from Pinus Taeda (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Pinus Thunbergii (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Pinus Wallichiana (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Polypodiodes Formosana (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Polypodiodes Niponica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 141. Outgoing r'ship FOUND_IN to/from Premna Mollissima (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Scutia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 145. Outgoing r'ship FOUND_IN to/from Scutia Indica (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Scutia Myrtina (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Tylophora Mollissima (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Uvaria Angolensis (Plant) Rel Props:Reference:
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